N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide

C25H24N4O3 — CID 59295374

IUPACN-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCCCOc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C25H24N4O3/c1-3-13-32-23-15-21-20(14-22(23)31-2)24(27-16-26-21)28-18-9-11-19(12-10-18)29-25(30)17-7-5-4-6-8-17/h4-12,14-16H,3,13H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyBXZNOEKDDKORRA-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.42
Rot. Bonds8

About N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide

N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide (PubChem CID 59295374) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
PubChem CID59295374
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide
SMILESCCCOc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC
InChIInChI=1S/C25H24N4O3/c1-3-13-32-23-15-21-20(14-22(23)31-2)24(27-16-26-21)28-18-9-11-19(12-10-18)29-25(30)17-7-5-4-6-8-17/h4-12,14-16H,3,13H2,1-2H3,(H,29,30)(H,26,27,28)
InChIKeyBXZNOEKDDKORRA-UHFFFAOYSA-N
XLogP5.42
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.42
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
ethyl 7-[4-(4-benzoylanilino)-7-methoxyquinazolin-6-yl]oxyheptanoate
CID 141401410
N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]acetamide
CID 129010594
ethyl N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]carbamate
CID 54587267
2-chloro-4-[(6,7-dimethoxyquinazolin-4-yl)amino]-N-phenylbenzamide
CID 18967578
3-methoxy-N-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]benzamide
CID 66550689
1-[4-[[7-(3-chloropropoxy)-6-methoxyquinazolin-4-yl]amino]phenyl]ethanone;ethane
CID 142929534
N-[(4-anilino-7-methoxyquinazolin-6-yl)carbamoyl]benzamide
CID 141449293
ethyl N-[4-[[6-[2-(diethylamino)ethoxy]-7-methoxyquinazolin-4-yl]amino]phenyl]carbamate
CID 129010598
N-(2-aminophenyl)-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]benzamide
CID 71471023
4-N-[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]benzene-1,4-diamine
CID 171420006
tert-butyl N-[4-[[6,7-bis(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]carbamate
CID 171419876

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide?
The IUPAC name of N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide (CID 59295374) is N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide is CCCOc1cc2ncnc(Nc3ccc(NC(=O)c4ccccc4)cc3)c2cc1OC.
What is the InChIKey of N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide?
The InChIKey is BXZNOEKDDKORRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-13-32-23-15-21-20(14-22(23)31-2)24(27-16-26-21)28-18-9-11-19(12-10-18)29-25(30)17-7-5-4-6-8-17/h4-12,14-16H,3,13H2,1-2H3,(H,29,30)(H,26,27,28).
What are the key properties of N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide?
N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide has a molecular weight of 428.49 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-methoxy-7-propoxyquinazolin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 59295374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).