4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile

C22H23N5O2 — CID 91313177

IUPAC4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
SMILESCCOc1cc2ncnc(N3CCN(c4ccc(C#N)cc4)CC3)c2cc1OC
InChIInChI=1S/C22H23N5O2/c1-3-29-21-13-19-18(12-20(21)28-2)22(25-15-24-19)27-10-8-26(9-11-27)17-6-4-16(14-23)5-7-17/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyMQUXXNPTZSZXSG-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.24
Rot. Bonds5

About 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile

4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile (PubChem CID 91313177) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
PubChem CID91313177
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile
SMILESCCOc1cc2ncnc(N3CCN(c4ccc(C#N)cc4)CC3)c2cc1OC
InChIInChI=1S/C22H23N5O2/c1-3-29-21-13-19-18(12-20(21)28-2)22(25-15-24-19)27-10-8-26(9-11-27)17-6-4-16(14-23)5-7-17/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyMQUXXNPTZSZXSG-UHFFFAOYSA-N
XLogP3.24
TPSA74.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylic acid
CID 22707631
N-(4-cyanophenyl)-4-[7-methoxy-6-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10344304
2-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-7-methoxyquinazolin-6-yl]oxyacetic acid
CID 11190431
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-ethoxy-7-methoxyquinazoline
CID 11537337
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
tert-butyl 4-(6-ethoxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxylate
CID 11429163
N-(4-cyanophenyl)-4-[6-methoxy-7-(2-pyrrol-1-ylethoxy)quinazolin-4-yl]piperazine-1-carboxamide
CID 10918068
N-(4-cyanophenyl)-4-(6-hydroxy-7-methoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 11200526
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 177373905
6-[4-[4-[(4-cyanophenyl)carbamoyl]piperazin-1-yl]-6-methoxyquinazolin-7-yl]oxy-3,5-dihydroxyhexanoic acid
CID 11599238
N-(4-cyanophenyl)-4-[6-methoxy-7-[3-(triazol-1-yl)propoxy]quinazolin-4-yl]piperazine-1-carboxamide
CID 10907383
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823

Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile?
The IUPAC name of 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile (CID 91313177) is 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile is CCOc1cc2ncnc(N3CCN(c4ccc(C#N)cc4)CC3)c2cc1OC.
What is the InChIKey of 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile?
The InChIKey is MQUXXNPTZSZXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-3-29-21-13-19-18(12-20(21)28-2)22(25-15-24-19)27-10-8-26(9-11-27)17-6-4-16(14-23)5-7-17/h4-7,12-13,15H,3,8-11H2,1-2H3.
What are the key properties of 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile?
4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile has a molecular weight of 389.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-ethoxy-6-methoxyquinazolin-4-yl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 91313177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).