3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide

C15H19ClN4O2 — CID 118574062

IUPAC3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
SMILESCC(N)c1nc2cccc(Cl)c2c(=O)n1CCC(=O)N(C)C
InChIInChI=1S/C15H19ClN4O2/c1-9(17)14-18-11-6-4-5-10(16)13(11)15(22)20(14)8-7-12(21)19(2)3/h4-6,9H,7-8,17H2,1-3H3
InChIKeyYHRGOFBPXIJKDG-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.55
Rot. Bonds4

About 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide

3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide (PubChem CID 118574062) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
PubChem CID118574062
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
SMILESCC(N)c1nc2cccc(Cl)c2c(=O)n1CCC(=O)N(C)C
InChIInChI=1S/C15H19ClN4O2/c1-9(17)14-18-11-6-4-5-10(16)13(11)15(22)20(14)8-7-12(21)19(2)3/h4-6,9H,7-8,17H2,1-3H3
InChIKeyYHRGOFBPXIJKDG-UHFFFAOYSA-N
XLogP1.55
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-5-chloro-3-(2-ethoxyethyl)quinazolin-4-one
CID 118573947
2-(1-aminoethyl)-5-chloro-3-(3-methoxy-3-methylbutyl)quinazolin-4-one
CID 118574153
2-(1-aminoethyl)-5-chloro-3-[(2-chlorophenyl)methyl]quinazolin-4-one
CID 155000155
2-(1-aminoethyl)-5-chloro-3-(3-morpholin-4-ylpropyl)quinazolin-4-one
CID 118573634
3-amino-2-(1-aminoethyl)-5-chloroquinazolin-4-one
CID 123454317
2-(1-aminoethyl)-5-chloro-3-(1H-1,2,4-triazol-5-ylmethyl)quinazolin-4-one
CID 118573848
tert-butyl N-[(1S)-1-[5-chloro-3-[2-(dimethylamino)ethyl]-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 154441345
tert-butyl 2-[[2-[(1S)-1-aminoethyl]-5-chloro-4-oxoquinazolin-3-yl]methyl]piperidine-1-carboxylate
CID 118574036
3-(2-aminoethyl)-2,5-dichloroquinazolin-4-one
CID 117263724
2-[(1S)-1-aminoethyl]-5-chloro-3-(1H-pyrrol-2-yl)quinazolin-4-one
CID 118575357
2-(2,5-dichloro-4-oxoquinazolin-3-yl)acetic acid
CID 117263802
4-[2-[amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]butanenitrile;3-[2-[amino(cyclopropyl)methyl]-5-chloro-4-oxoquinazolin-3-yl]propanenitrile
CID 118576464

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide (CID 118574062) is 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide is CC(N)c1nc2cccc(Cl)c2c(=O)n1CCC(=O)N(C)C.
What is the InChIKey of 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is YHRGOFBPXIJKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2/c1-9(17)14-18-11-6-4-5-10(16)13(11)15(22)20(14)8-7-12(21)19(2)3/h4-6,9H,7-8,17H2,1-3H3.
What are the key properties of 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide?
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 322.80 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 118574062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).