N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide

C19H19N5O2 — CID 110436285

IUPACN-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
SMILESO=CNCCCNC(=O)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C19H19N5O2/c25-13-20-10-3-11-21-19(26)14-6-8-15(9-7-14)24-18-16-4-1-2-5-17(16)22-12-23-18/h1-2,4-9,12-13H,3,10-11H2,(H,20,25)(H,21,26)(H,22,23,24)
InChIKeyBWZFFAXBBBJQOH-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.24
Rot. Bonds8

About N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide

N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide (PubChem CID 110436285) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide.

Molecular Properties

Compound NameN-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
PubChem CID110436285
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide
SMILESO=CNCCCNC(=O)c1ccc(Nc2ncnc3ccccc23)cc1
InChIInChI=1S/C19H19N5O2/c25-13-20-10-3-11-21-19(26)14-6-8-15(9-7-14)24-18-16-4-1-2-5-17(16)22-12-23-18/h1-2,4-9,12-13H,3,10-11H2,(H,20,25)(H,21,26)(H,22,23,24)
InChIKeyBWZFFAXBBBJQOH-UHFFFAOYSA-N
XLogP2.24
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-4-(quinazolin-4-ylamino)benzamide
CID 2501443
3-(quinazolin-4-ylamino)-N-[2-[2-[[3-(quinazolin-4-ylamino)benzoyl]amino]ethyldisulfanyl]ethyl]benzamide
CID 139015878
2-[4-(quinazolin-4-ylamino)phenyl]acetic acid
CID 21002390
4-(quinazolin-4-ylamino)phenol;hydrochloride
CID 2790603
N-butylquinazoline-4-carboxamide
CID 110702643
N-[8-(quinazolin-4-ylamino)octyl]pyridine-3-carboxamide
CID 90319300
N-(4-tert-butylphenyl)quinazolin-4-amine
CID 11323396
N-(2-amino-5-fluorophenyl)-4-(quinazolin-4-ylamino)benzamide
CID 71470718
5-(quinazolin-4-ylamino)benzene-1,3-dicarboxylic acid
CID 21002389
4-(3,4-dimethoxyanilino)-N-[7-(hydroxyamino)-7-oxoheptyl]quinazoline-7-carboxamide
CID 165147958
N-(3-methoxypropyl)-4-[4-(trifluoromethoxy)anilino]quinazoline-7-carboxamide
CID 71001471
3-pyridin-3-yl-1-[4-(quinazolin-4-ylamino)phenyl]propan-1-one
CID 174799439

Frequently Asked Questions

What is the IUPAC name of N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide?
The IUPAC name of N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide (CID 110436285) is N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide.
What is the SMILES notation for N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide?
The canonical SMILES for N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide is O=CNCCCNC(=O)c1ccc(Nc2ncnc3ccccc23)cc1.
What is the InChIKey of N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide?
The InChIKey is BWZFFAXBBBJQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-13-20-10-3-11-21-19(26)14-6-8-15(9-7-14)24-18-16-4-1-2-5-17(16)22-12-23-18/h1-2,4-9,12-13H,3,10-11H2,(H,20,25)(H,21,26)(H,22,23,24).
What are the key properties of N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide?
N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-formamidopropyl)-4-(quinazolin-4-ylamino)benzamide is sourced from PubChem (CID 110436285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).