2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

C18H25N5O2 — CID 72897482

IUPAC2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3nc(N)nc4c3CCCC4)C2)C1=O
InChIInChI=1S/C18H25N5O2/c1-22-9-4-7-18(16(22)25)8-10-23(11-18)15(24)14-12-5-2-3-6-13(12)20-17(19)21-14/h2-11H2,1H3,(H2,19,20,21)
InChIKeyNCERZFMGFBCOGE-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.02
Rot. Bonds1

About 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one

2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72897482) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72897482
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
SMILESCN1CCCC2(CCN(C(=O)c3nc(N)nc4c3CCCC4)C2)C1=O
InChIInChI=1S/C18H25N5O2/c1-22-9-4-7-18(16(22)25)8-10-23(11-18)15(24)14-12-5-2-3-6-13(12)20-17(19)21-14/h2-11H2,1H3,(H2,19,20,21)
InChIKeyNCERZFMGFBCOGE-UHFFFAOYSA-N
XLogP1.02
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72855403
(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-(1H-indazole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45232149
4-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]benzonitrile
CID 97139079
2-(4-ethenylbenzoyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45205610
[(3S)-3-aminoazepan-1-yl]-(2-amino-5,6,7,8-tetrahydroquinazolin-4-yl)methanone
CID 96578504
2-(2-cyclopropyl-6-oxo-1H-pyrimidine-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 154865329
(5R)-7-methyl-2-(4-methyl-2-propan-2-ylpyrimidine-5-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95223658
(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
2-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 45198082
1-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-2-morpholin-4-ylethane-1,2-dione
CID 95221755
2,2-dimethylpropyl (5S)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carboxylate
CID 95200256

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one (CID 72897482) is 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is CN1CCCC2(CCN(C(=O)c3nc(N)nc4c3CCCC4)C2)C1=O.
What is the InChIKey of 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is NCERZFMGFBCOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-22-9-4-7-18(16(22)25)8-10-23(11-18)15(24)14-12-5-2-3-6-13(12)20-17(19)21-14/h2-11H2,1H3,(H2,19,20,21).
What are the key properties of 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one?
2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 343.43 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72897482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).