N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide

C25H23ClN4O3 — CID 146946385

IUPACN-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1OCC
InChIInChI=1S/C25H23ClN4O3/c1-3-32-22-11-8-16(12-23(22)33-4-2)25(31)30-19-9-10-21-20(14-19)24(28-15-27-21)29-18-7-5-6-17(26)13-18/h5-15H,3-4H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyAHWHROUPQPNHRI-UHFFFAOYSA-N
MW462.94 g/mol
LogP6.08
Rot. Bonds8

About N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide

N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide (PubChem CID 146946385) has the molecular formula C25H23ClN4O3 and a molecular weight of 462.94 g/mol. Its IUPAC name is N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide
PubChem CID146946385
Molecular FormulaC25H23ClN4O3
Molecular Weight462.94 g/mol
Exact Mass462.15
IUPAC NameN-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1OCC
InChIInChI=1S/C25H23ClN4O3/c1-3-32-22-11-8-16(12-23(22)33-4-2)25(31)30-19-9-10-21-20(14-19)24(28-15-27-21)29-18-7-5-6-17(26)13-18/h5-15H,3-4H2,1-2H3,(H,30,31)(H,27,28,29)
InChIKeyAHWHROUPQPNHRI-UHFFFAOYSA-N
XLogP6.08
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.94
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]benzamide
CID 162673382
N-(3-chlorophenyl)-3-ethoxy-4-phenylmethoxybenzamide
CID 2192184
N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methoxybenzamide
CID 71761877
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
3-chloro-N-[5-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]-2-pyridinyl]benzamide
CID 57447230
N-[4-(3-bromoanilino)quinazolin-6-yl]-2-(3-chlorophenyl)acetamide
CID 174705931
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
1-(3-acetylphenyl)-3-[4-(3,4-dimethoxyanilino)quinazolin-6-yl]urea
CID 44569793
1-(3-chlorophenyl)-3-[(3-ethoxy-4-propoxybenzoyl)amino]thiourea
CID 9480076
N-(3-chloro-4-fluorophenyl)-3,4-diethoxybenzamide
CID 3371739
3-(carbamoylamino)-N-(3,4-diethoxyphenyl)benzamide
CID 38374458
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide?
The IUPAC name of N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide (CID 146946385) is N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1OCC.
What is the InChIKey of N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide?
The InChIKey is AHWHROUPQPNHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3/c1-3-32-22-11-8-16(12-23(22)33-4-2)25(31)30-19-9-10-21-20(14-19)24(28-15-27-21)29-18-7-5-6-17(26)13-18/h5-15H,3-4H2,1-2H3,(H,30,31)(H,27,28,29).
What are the key properties of N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide?
N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide has a molecular weight of 462.94 g/mol, XLogP of 6.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloroanilino)quinazolin-6-yl]-3,4-diethoxybenzamide is sourced from PubChem (CID 146946385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).