N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide

C19H13N5O — CID 54172412

IUPACN-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(Nc3ccc4[nH]ccc4c3)ncnc2c1
InChIInChI=1S/C19H13N5O/c1-2-18(25)23-14-3-5-15-17(10-14)21-11-22-19(15)24-13-4-6-16-12(9-13)7-8-20-16/h1,3-11,20H,(H,23,25)(H,21,22,24)
InChIKeyOVYJEDABRROAKX-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.43
Rot. Bonds3

About N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide

N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide (PubChem CID 54172412) has the molecular formula C19H13N5O and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide.

Molecular Properties

Compound NameN-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide
PubChem CID54172412
Molecular FormulaC19H13N5O
Molecular Weight327.35 g/mol
Exact Mass327.11
IUPAC NameN-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide
SMILESC#CC(=O)Nc1ccc2c(Nc3ccc4[nH]ccc4c3)ncnc2c1
InChIInChI=1S/C19H13N5O/c1-2-18(25)23-14-3-5-15-17(10-14)21-11-22-19(15)24-13-4-6-16-12(9-13)7-8-20-16/h1,3-11,20H,(H,23,25)(H,21,22,24)
InChIKeyOVYJEDABRROAKX-UHFFFAOYSA-N
XLogP3.43
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-indol-5-yl)-6,7-dimethylquinazolin-4-amine
CID 142010031
N-(1H-indol-5-yl)-6-methoxy-7-methylquinazolin-4-amine
CID 23537228
N-(1H-indol-5-yl)-6-nitroquinazolin-4-amine;hydrochloride
CID 23366741
4-N-(1H-indol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366722
N-(1H-indol-5-yl)-6-iodo-7-methoxyquinazolin-4-amine
CID 15521323
2-[4-(1H-indol-5-ylamino)quinazolin-6-yl]benzoic acid
CID 22000120
4-[2-[[4-(1H-indol-5-ylamino)quinazolin-6-yl]amino]-2-oxoethylidene]piperidine-1-carboxylic acid
CID 68981840
N-phenyl-8H-pyrrolo[3,2-g]quinazolin-4-amine
CID 59076984
5-amino-6-(1H-indol-5-ylamino)pyridine-3-carbonitrile
CID 18509743
N-(1H-indol-5-yl)-6-methoxy-7-(3-methylsulfonylpropoxy)quinazolin-4-amine;hydrochloride
CID 22030654
N-(1H-indol-5-yl)-6-methoxy-7-phenylmethoxyquinazolin-4-amine;hydrochloride
CID 22030547
6-[2-(3,5-dimethoxyphenyl)ethenyl]-N-(1H-indol-5-yl)-7-methoxyquinazolin-4-amine
CID 70245929

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide?
The IUPAC name of N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide (CID 54172412) is N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide.
What is the SMILES notation for N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide?
The canonical SMILES for N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide is C#CC(=O)Nc1ccc2c(Nc3ccc4[nH]ccc4c3)ncnc2c1.
What is the InChIKey of N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide?
The InChIKey is OVYJEDABRROAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O/c1-2-18(25)23-14-3-5-15-17(10-14)21-11-22-19(15)24-13-4-6-16-12(9-13)7-8-20-16/h1,3-11,20H,(H,23,25)(H,21,22,24).
What are the key properties of N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide?
N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide has a molecular weight of 327.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-5-ylamino)quinazolin-7-yl]prop-2-ynamide is sourced from PubChem (CID 54172412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).