8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one

C19H25N3O2 — CID 95585347

IUPAC8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3C(C)C)cnc12
InChIInChI=1S/C19H25N3O2/c1-13(2)16-8-5-10-22(16)17(23)9-11-21-12-20-18-14(3)6-4-7-15(18)19(21)24/h4,6-7,12-13,16H,5,8-11H2,1-3H3/t16-/m0/s1
InChIKeyVXWNFAHKVQHNNA-INIZCTEOSA-N
MW327.43 g/mol
LogP2.74
Rot. Bonds4

About 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one

8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one (PubChem CID 95585347) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
PubChem CID95585347
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one
SMILESCc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3C(C)C)cnc12
InChIInChI=1S/C19H25N3O2/c1-13(2)16-8-5-10-22(16)17(23)9-11-21-12-20-18-14(3)6-4-7-15(18)19(21)24/h4,6-7,12-13,16H,5,8-11H2,1-3H3/t16-/m0/s1
InChIKeyVXWNFAHKVQHNNA-INIZCTEOSA-N
XLogP2.74
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-4-oxobutyl]-8-methylquinazolin-4-one
CID 18132606
3-[3-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 94486962
3-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119518652
3-[3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 34467348
8-methyl-3-[3-oxo-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]propyl]quinazolin-4-one
CID 46685317
3-[3-[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124692808
8-methyl-3-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 119544609
8-methyl-3-[3-oxo-3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazin-1-yl]propyl]quinazolin-4-one
CID 86890883
3-[3-[3-(2-hydroxyethyl)morpholin-4-yl]-3-oxopropyl]-8-methylquinazolin-4-one
CID 136518869
3-[3-(1,4-diazepan-1-yl)-3-oxopropyl]-8-methylquinazolin-4-one;hydrochloride
CID 119416183
8-methyl-3-[3-oxo-3-[4-(2-phenylethyl)piperidin-1-yl]propyl]quinazolin-4-one
CID 30085391
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
CID 35246602

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one?
The IUPAC name of 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one (CID 95585347) is 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one.
What is the SMILES notation for 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one?
The canonical SMILES for 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one is Cc1cccc2c(=O)n(CCC(=O)N3CCC[C@H]3C(C)C)cnc12.
What is the InChIKey of 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one?
The InChIKey is VXWNFAHKVQHNNA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)16-8-5-10-22(16)17(23)9-11-21-12-20-18-14(3)6-4-7-15(18)19(21)24/h4,6-7,12-13,16H,5,8-11H2,1-3H3/t16-/m0/s1.
What are the key properties of 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one?
8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one has a molecular weight of 327.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[3-oxo-3-[(2S)-2-propan-2-ylpyrrolidin-1-yl]propyl]quinazolin-4-one is sourced from PubChem (CID 95585347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).