2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide

C13H20N4O2 — CID 135408809

IUPAC2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
SMILESCCN(CC)C(=O)C1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)12(19)8-5-6-10-9(7-8)11(18)16-13(14)15-10/h8H,3-7H2,1-2H3,(H3,14,15,16,18)
InChIKeyLISLDNVPYIXSCJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.33
Rot. Bonds3

About 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide

2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide (PubChem CID 135408809) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide.

Molecular Properties

Compound Name2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
PubChem CID135408809
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide
SMILESCCN(CC)C(=O)C1CCc2nc(N)[nH]c(=O)c2C1
InChIInChI=1S/C13H20N4O2/c1-3-17(4-2)12(19)8-5-6-10-9(7-8)11(18)16-13(14)15-10/h8H,3-7H2,1-2H3,(H3,14,15,16,18)
InChIKeyLISLDNVPYIXSCJ-UHFFFAOYSA-N
XLogP0.33
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136023331
7-(3-cyclopentylpropanoyl)-2-(dimethylamino)-5,6,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4-one
CID 136665896
2-(3,5-dimethylpiperidin-1-yl)-5-hexyl-6-methylpyrimidin-4(3H)-one
CID 135644674
N,N-diethyl-4-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)piperazine-1-carboxamide
CID 137095093
2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-7-methyl
CID 135441917
2H-Pyrido[2,1-b]quinazolin-6-one, 1,3,4,6,7,8,9,10-octahydro-8-methyl
CID 135441918
2-Amino-3-methyl-6-propyl-6,7-dihydroquinazoline-4,5,8-trione
CID 58171043
2-Amino-6-butyl-3-methyl-6,7-dihydroquinazoline-4,5,8-trione
CID 58171472
5-(3-Ethylhexyl)-3,6-dimethyl-2-(methylamino)pyrimidin-4-one
CID 67595511
CID 135611929
CID 135611929
(5aS,9aS)-2-amino-6-propyl-3,5,5a,7,8,9,9a,10-octahydropyrido[2,3-g]quinazolin-4-one
CID 136019979
3-(8-cyclopentyl-2-ethylimino-4-methyl-7-oxo-3,5,6,8a-tetrahydro-1H-pyrido[2,3-d]pyrimidin-6-yl)-N,N-diethylpropanamide
CID 136400543

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
The IUPAC name of 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide (CID 135408809) is 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide.
What is the SMILES notation for 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
The canonical SMILES for 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide is CCN(CC)C(=O)C1CCc2nc(N)[nH]c(=O)c2C1.
What is the InChIKey of 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
The InChIKey is LISLDNVPYIXSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-17(4-2)12(19)8-5-6-10-9(7-8)11(18)16-13(14)15-10/h8H,3-7H2,1-2H3,(H3,14,15,16,18).
What are the key properties of 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide?
2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-diethyl-4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-6-carboxamide is sourced from PubChem (CID 135408809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).