3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one

C69H84N12O7 — CID 143270252

IUPAC3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one
SMILESCCOc1ccccc1-n1c(C(C)N2CCN(C)CC2)nc2ccccc2c1=O.CCOc1ccccc1-n1c(C(C)N2CCN(CCO)CC2)nc2ccccc2c1=O.CCOc1ccccc1-n1c(C(C)N2CCNCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H30N4O3.C23H28N4O2.C22H26N4O2/c1-3-31-22-11-7-6-10-21(22)28-23(25-20-9-5-4-8-19(20)24(28)30)18(2)27-14-12-26(13-15-27)16-17-29;1-4-29-21-12-8-7-11-20(21)27-22(17(2)26-15-13-25(3)14-16-26)24-19-10-6-5-9-18(19)23(27)28;1-3-28-20-11-7-6-10-19(20)26-21(16(2)25-14-12-23-13-15-25)24-18-9-5-4-8-17(18)22(26)27/h4-11,18,29H,3,12-17H2,1-2H3;5-12,17H,4,13-16H2,1-3H3;4-11,16,23H,3,12-15H2,1-2H3
InChIKeyWVYVBZYZJFIGHV-UHFFFAOYSA-N
MW1193.51 g/mol
LogP8.30
Rot. Bonds17

About 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one

3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one (PubChem CID 143270252) has the molecular formula C69H84N12O7 and a molecular weight of 1193.51 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one
PubChem CID143270252
Molecular FormulaC69H84N12O7
Molecular Weight1193.51 g/mol
Exact Mass1192.66
IUPAC Name3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one
SMILESCCOc1ccccc1-n1c(C(C)N2CCN(C)CC2)nc2ccccc2c1=O.CCOc1ccccc1-n1c(C(C)N2CCN(CCO)CC2)nc2ccccc2c1=O.CCOc1ccccc1-n1c(C(C)N2CCNCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H30N4O3.C23H28N4O2.C22H26N4O2/c1-3-31-22-11-7-6-10-21(22)28-23(25-20-9-5-4-8-19(20)24(28)30)18(2)27-14-12-26(13-15-27)16-17-29;1-4-29-21-12-8-7-11-20(21)27-22(17(2)26-15-13-25(3)14-16-26)24-19-10-6-5-9-18(19)23(27)28;1-3-28-20-11-7-6-10-19(20)26-21(16(2)25-14-12-23-13-15-25)24-18-9-5-4-8-17(18)22(26)27/h4-11,18,29H,3,12-17H2,1-2H3;5-12,17H,4,13-16H2,1-3H3;4-11,16,23H,3,12-15H2,1-2H3
InChIKeyWVYVBZYZJFIGHV-UHFFFAOYSA-N
XLogP8.30
TPSA180.82 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.51
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Analyze 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one with MolForge

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Related Compounds

3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 11627395
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3-(2-ethoxyphenyl)-2-[1-[4-[2-[4-[(1-methylsulfanylethylamino)methyl]phenoxy]acetyl]piperazin-1-yl]ethyl]quinazolin-4-one
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CID 58228556
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 1055194
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
CID 42722454
3-(2-butoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045110
3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one
CID 166663765
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 42722210

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one?
The IUPAC name of 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one (CID 143270252) is 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one is CCOc1ccccc1-n1c(C(C)N2CCN(C)CC2)nc2ccccc2c1=O.CCOc1ccccc1-n1c(C(C)N2CCN(CCO)CC2)nc2ccccc2c1=O.CCOc1ccccc1-n1c(C(C)N2CCNCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one?
The InChIKey is WVYVBZYZJFIGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3.C23H28N4O2.C22H26N4O2/c1-3-31-22-11-7-6-10-21(22)28-23(25-20-9-5-4-8-19(20)24(28)30)18(2)27-14-12-26(13-15-27)16-17-29;1-4-29-21-12-8-7-11-20(21)27-22(17(2)26-15-13-25(3)14-16-26)24-19-10-6-5-9-18(19)23(27)28;1-3-28-20-11-7-6-10-19(20)26-21(16(2)25-14-12-23-13-15-25)24-18-9-5-4-8-17(18)22(26)27/h4-11,18,29H,3,12-17H2,1-2H3;5-12,17H,4,13-16H2,1-3H3;4-11,16,23H,3,12-15H2,1-2H3.
What are the key properties of 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one?
3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one has a molecular weight of 1193.51 g/mol, XLogP of 8.30, 17 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one is sourced from PubChem (CID 143270252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).