N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

C16H19BrN4O2 — CID 119616697

IUPACN-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESNCC(NC(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CC1
InChIInChI=1S/C16H19BrN4O2/c17-11-3-4-13-12(7-11)16(23)21(9-19-13)6-5-15(22)20-14(8-18)10-1-2-10/h3-4,7,9-10,14H,1-2,5-6,8,18H2,(H,20,22)
InChIKeyPQRQKKHELNJPRI-UHFFFAOYSA-N
MW379.26 g/mol
LogP1.40
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide

N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (PubChem CID 119616697) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
PubChem CID119616697
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
SMILESNCC(NC(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CC1
InChIInChI=1S/C16H19BrN4O2/c17-11-3-4-13-12(7-11)16(23)21(9-19-13)6-5-15(22)20-14(8-18)10-1-2-10/h3-4,7,9-10,14H,1-2,5-6,8,18H2,(H,20,22)
InChIKeyPQRQKKHELNJPRI-UHFFFAOYSA-N
XLogP1.40
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 120506243
3-[3-[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-3-oxopropyl]-6-bromoquinazolin-4-one
CID 124702225
N-[3-(aminomethyl)pentan-3-yl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 119571304
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 24621684
5-(6-bromo-4-oxoquinazolin-3-yl)pentanehydrazide
CID 63578850
N-[(2S)-1-aminopropan-2-yl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 120507203
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)propanamide
CID 51330900
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-methyl-1-phenylbutyl)propanamide
CID 24684081
3-[3-(4-aminopiperidin-1-yl)-3-oxopropyl]-6-bromoquinazolin-4-one;hydrochloride
CID 119376047
N-[2-(aminomethyl)cyclohexyl]-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 119610209
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(4-iodophenyl)propanamide
CID 30286634
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120602457

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide (CID 119616697) is N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is NCC(NC(=O)CCn1cnc2ccc(Br)cc2c1=O)C1CC1.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is PQRQKKHELNJPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c17-11-3-4-13-12(7-11)16(23)21(9-19-13)6-5-15(22)20-14(8-18)10-1-2-10/h3-4,7,9-10,14H,1-2,5-6,8,18H2,(H,20,22).
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide?
N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 379.26 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 119616697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).