1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one

C26H31N7O — CID 70925053

IUPAC1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
SMILESCc1cccc(Nc2ncnc3cc(-n4ccn(CCCN5CCN(C)CC5)c4=O)ccc23)c1
InChIInChI=1S/C26H31N7O/c1-20-5-3-6-21(17-20)29-25-23-8-7-22(18-24(23)27-19-28-25)33-16-15-32(26(33)34)10-4-9-31-13-11-30(2)12-14-31/h3,5-8,15-19H,4,9-14H2,1-2H3,(H,27,28,29)
InChIKeyFDDYQJUXYVHDQM-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.27
Rot. Bonds7

About 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one

1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one (PubChem CID 70925053) has the molecular formula C26H31N7O and a molecular weight of 457.58 g/mol. Its IUPAC name is 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one.

Molecular Properties

Compound Name1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
PubChem CID70925053
Molecular FormulaC26H31N7O
Molecular Weight457.58 g/mol
Exact Mass457.26
IUPAC Name1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one
SMILESCc1cccc(Nc2ncnc3cc(-n4ccn(CCCN5CCN(C)CC5)c4=O)ccc23)c1
InChIInChI=1S/C26H31N7O/c1-20-5-3-6-21(17-20)29-25-23-8-7-22(18-24(23)27-19-28-25)33-16-15-32(26(33)34)10-4-9-31-13-11-30(2)12-14-31/h3,5-8,15-19H,4,9-14H2,1-2H3,(H,27,28,29)
InChIKeyFDDYQJUXYVHDQM-UHFFFAOYSA-N
XLogP3.27
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one with MolForge

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Related Compounds

1-[3-(diethylamino)propyl]-3-[4-(3-ethylanilino)quinazolin-6-yl]imidazol-2-one
CID 70925070
4-(3-methylanilino)quinazoline-7-carboxylic acid
CID 1414137
N-[4-(3-methylanilino)quinazolin-6-yl]-2-(4-methyl-1,4-diazepan-1-yl)acetamide
CID 143921739
N-[2-[3-[4-(3-ethylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 70925072
4-N-(3-methylphenyl)-7-(3-morpholin-4-ylpropoxy)quinazoline-4,6-diamine
CID 10834412
N-(3-methylphenyl)quinazolin-4-amine
CID 659954
N-(3-methylphenyl)-4-(4-methylpiperazin-1-yl)quinazolin-7-amine
CID 172643636
1-[6-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-benzothiazol-2-yl]-3-(3-methylphenyl)urea
CID 51347470
N-[2-[3-[4-(3-ethynylanilino)quinazolin-6-yl]-2-oxoimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 44600445
1-[4-(3-ethenylanilino)quinazolin-6-yl]-3-(2-imidazol-1-ylethyl)imidazol-2-one
CID 143921722
4-N-(3-methylphenyl)-7-[1-(4-methylpiperazin-1-yl)propoxy]quinazoline-4,6-diamine
CID 57283012
1,2-dimethyl-N-(3-methylphenyl)imidazo[4,5-g]quinazolin-8-amine
CID 15838095

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one?
The IUPAC name of 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one (CID 70925053) is 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one.
What is the SMILES notation for 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one?
The canonical SMILES for 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one is Cc1cccc(Nc2ncnc3cc(-n4ccn(CCCN5CCN(C)CC5)c4=O)ccc23)c1.
What is the InChIKey of 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one?
The InChIKey is FDDYQJUXYVHDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O/c1-20-5-3-6-21(17-20)29-25-23-8-7-22(18-24(23)27-19-28-25)33-16-15-32(26(33)34)10-4-9-31-13-11-30(2)12-14-31/h3,5-8,15-19H,4,9-14H2,1-2H3,(H,27,28,29).
What are the key properties of 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one?
1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one has a molecular weight of 457.58 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylanilino)quinazolin-7-yl]-3-[3-(4-methylpiperazin-1-yl)propyl]imidazol-2-one is sourced from PubChem (CID 70925053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).