9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

C19H27N5O2 — CID 72855403

IUPAC9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)c1nc(N)nc3c1CCCC3)CC2
InChIInChI=1S/C19H27N5O2/c1-23-12-19(7-6-15(23)25)8-10-24(11-9-19)17(26)16-13-4-2-3-5-14(13)21-18(20)22-16/h2-12H2,1H3,(H2,20,21,22)
InChIKeyXUQQNRKQZIEJIU-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.41
Rot. Bonds1

About 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one

9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72855403) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72855403
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)c1nc(N)nc3c1CCCC3)CC2
InChIInChI=1S/C19H27N5O2/c1-23-12-19(7-6-15(23)25)8-10-24(11-9-19)17(26)16-13-4-2-3-5-14(13)21-18(20)22-16/h2-12H2,1H3,(H2,20,21,22)
InChIKeyXUQQNRKQZIEJIU-UHFFFAOYSA-N
XLogP1.41
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 72897482
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]methanone
CID 133117489
2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 77092196
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 77097569
[(3S)-3-aminoazepan-1-yl]-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanone
CID 96578504
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methanone
CID 131928639
9-(1-acetylpiperidine-3-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72879124
9-[(2S)-2-(4-chlorophenyl)-2-hydroxyacetyl]-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97133136
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935399
2-methyl-9-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97142931
2-methyl-9-[2-(4-methylpiperazin-1-yl)propanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 86283463

Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one (CID 72855403) is 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCC1=O)CCN(C(=O)c1nc(N)nc3c1CCCC3)CC2.
What is the InChIKey of 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is XUQQNRKQZIEJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-23-12-19(7-6-15(23)25)8-10-24(11-9-19)17(26)16-13-4-2-3-5-14(13)21-18(20)22-16/h2-12H2,1H3,(H2,20,21,22).
What are the key properties of 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 357.46 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72855403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).