1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one

C19H23ClN4O2 — CID 110244839

IUPAC1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one
SMILESCc1ncc2c(n1)[C@]1(C)CCCN(C(=O)CCc3cc(Cl)no3)C1CC2
InChIInChI=1S/C19H23ClN4O2/c1-12-21-11-13-4-6-15-19(2,18(13)22-12)8-3-9-24(15)17(25)7-5-14-10-16(20)23-26-14/h10-11,15H,3-9H2,1-2H3/t15?,19-/m1/s1
InChIKeyUWAARWHZOXNWIU-XCWJXAQQSA-N
MW374.87 g/mol
LogP3.25
Rot. Bonds3

About 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one

1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one (PubChem CID 110244839) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one
PubChem CID110244839
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one
SMILESCc1ncc2c(n1)[C@]1(C)CCCN(C(=O)CCc3cc(Cl)no3)C1CC2
InChIInChI=1S/C19H23ClN4O2/c1-12-21-11-13-4-6-15-19(2,18(13)22-12)8-3-9-24(15)17(25)7-5-14-10-16(20)23-26-14/h10-11,15H,3-9H2,1-2H3/t15?,19-/m1/s1
InChIKeyUWAARWHZOXNWIU-XCWJXAQQSA-N
XLogP3.25
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one with MolForge

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Related Compounds

3-(3-chloro-1,2-oxazol-5-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104453
[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 110223102
(1S,5R)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 154819010
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2S)-2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 124986328
(1S,4R,8R)-9-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-4-propan-2-yl-2-oxa-5,9-diazatricyclo[6.3.0.01,5]undecan-6-one
CID 154819216
3-(3-chloro-1,2-oxazol-5-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]propan-1-one
CID 110105488
3-(3-chloro-1,2-oxazol-5-yl)-1-[(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undecan-2-yl]propan-1-one
CID 164698982
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 95719518
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]propan-1-one
CID 97128469
3-(3-chloro-1,2-oxazol-5-yl)-1-[(2R)-2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 166316412
5-[1-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-N-methylthiophene-2-carboxamide
CID 45250395
(2S)-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-N,2-dimethylmorpholine-2-carboxamide
CID 125001654

Frequently Asked Questions

What is the IUPAC name of 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one (CID 110244839) is 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one is Cc1ncc2c(n1)[C@]1(C)CCCN(C(=O)CCc3cc(Cl)no3)C1CC2.
What is the InChIKey of 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is UWAARWHZOXNWIU-XCWJXAQQSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-12-21-11-13-4-6-15-19(2,18(13)22-12)8-3-9-24(15)17(25)7-5-14-10-16(20)23-26-14/h10-11,15H,3-9H2,1-2H3/t15?,19-/m1/s1.
What are the key properties of 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one?
1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 374.87 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(10aR)-2,10a-dimethyl-5,6,6a,8,9,10-hexahydropyrido[2,3-h]quinazolin-7-yl]-3-(3-chloro-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 110244839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).