4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide

C16H22N4O2 — CID 137100232

IUPAC4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCC(C)N
InChIInChI=1S/C16H22N4O2/c1-3-20(15(21)9-8-11(2)17)10-14-18-13-7-5-4-6-12(13)16(22)19-14/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19,22)
InChIKeyBUUQUIAXMAOMJU-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.40
Rot. Bonds6

About 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide

4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide (PubChem CID 137100232) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
PubChem CID137100232
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCC(C)N
InChIInChI=1S/C16H22N4O2/c1-3-20(15(21)9-8-11(2)17)10-14-18-13-7-5-4-6-12(13)16(22)19-14/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19,22)
InChIKeyBUUQUIAXMAOMJU-UHFFFAOYSA-N
XLogP1.40
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide;hydrochloride
CID 146086015
3-amino-N-ethyl-2-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 137125127
(2S)-2-amino-N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 137050015
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylbutanamide
CID 135962185
N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-phenylfuran-2-yl)propanamide
CID 135821176
N-ethyl-3-indol-1-yl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821181
4-(2,5-dimethylphenyl)-N-ethyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide
CID 135821079
N-ethyl-2-(1-hydroxycyclopentyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 136821194
(3R)-3-acetamido-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-phenylpropanamide
CID 135821026
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821063
N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
The IUPAC name of 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide (CID 137100232) is 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide.
What is the SMILES notation for 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
The canonical SMILES for 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCC(C)N.
What is the InChIKey of 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
The InChIKey is BUUQUIAXMAOMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-20(15(21)9-8-11(2)17)10-14-18-13-7-5-4-6-12(13)16(22)19-14/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19,22).
What are the key properties of 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide?
4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide has a molecular weight of 302.38 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pentanamide is sourced from PubChem (CID 137100232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).