2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide

C16H19BrN4O — CID 175431192

IUPAC2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
SMILESCC(Nc1ncnc2ccc(Br)cc12)C(=O)NC1CCCC1
InChIInChI=1S/C16H19BrN4O/c1-10(16(22)21-12-4-2-3-5-12)20-15-13-8-11(17)6-7-14(13)18-9-19-15/h6-10,12H,2-5H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyDEGWHCIQRBZGQZ-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.25
Rot. Bonds4

About 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide

2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide (PubChem CID 175431192) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
PubChem CID175431192
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide
SMILESCC(Nc1ncnc2ccc(Br)cc12)C(=O)NC1CCCC1
InChIInChI=1S/C16H19BrN4O/c1-10(16(22)21-12-4-2-3-5-12)20-15-13-8-11(17)6-7-14(13)18-9-19-15/h6-10,12H,2-5H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyDEGWHCIQRBZGQZ-UHFFFAOYSA-N
XLogP3.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-bromoquinazolin-4-yl)amino]-N-[2-(diethylamino)ethyl]propanamide
CID 163215900
(2S)-2-[(6-bromoquinazolin-4-yl)amino]-3-methylbutanoic acid
CID 725459
(2R)-2-(4-bromoanilino)-N-cyclopentylpropanamide
CID 8005833
2-(4-bromo-2-fluoroanilino)-N-cyclopentylpropanamide
CID 43088713
2-[(6-bromoquinazolin-4-yl)amino]butanoic acid
CID 2787397
2-[(5-bromo-3-pyridinyl)amino]-N-cyclopentylpropanamide
CID 113350201
2-[(6-methylquinazolin-4-yl)amino]propanoic acid;hydrochloride
CID 18558605
2-(4-bromo-2-fluoroanilino)-N-cyclopropylpropanamide
CID 43088710
2-(2-amino-4-bromoanilino)-N-cyclopropylpropanamide
CID 113406572
6-bromo-N-[(1R)-1-(1,2-oxazol-3-yl)ethyl]quinazolin-4-amine
CID 97257160
2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]-N-cyclopropylpropanamide
CID 113408057
N-cyclohexyl-2-(3,5-dimethylanilino)propanamide
CID 43083597

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide?
The IUPAC name of 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide (CID 175431192) is 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide is CC(Nc1ncnc2ccc(Br)cc12)C(=O)NC1CCCC1.
What is the InChIKey of 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide?
The InChIKey is DEGWHCIQRBZGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-10(16(22)21-12-4-2-3-5-12)20-15-13-8-11(17)6-7-14(13)18-9-19-15/h6-10,12H,2-5H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide?
2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide has a molecular weight of 363.26 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromoquinazolin-4-yl)amino]-N-cyclopentylpropanamide is sourced from PubChem (CID 175431192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).