2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

C19H26N2O4 — CID 91904578

IUPAC2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESO=C(c1c(OCC2CC2)cc(=O)n2c1CCCCC2)N1CCOCC1
InChIInChI=1S/C19H26N2O4/c22-17-12-16(25-13-14-5-6-14)18(15-4-2-1-3-7-21(15)17)19(23)20-8-10-24-11-9-20/h12,14H,1-11,13H2
InChIKeyBJAVQOORITVRDP-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.84
Rot. Bonds4

About 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one

2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (PubChem CID 91904578) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
PubChem CID91904578
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
SMILESO=C(c1c(OCC2CC2)cc(=O)n2c1CCCCC2)N1CCOCC1
InChIInChI=1S/C19H26N2O4/c22-17-12-16(25-13-14-5-6-14)18(15-4-2-1-3-7-21(15)17)19(23)20-8-10-24-11-9-20/h12,14H,1-11,13H2
InChIKeyBJAVQOORITVRDP-UHFFFAOYSA-N
XLogP1.84
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one with MolForge

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 122172125
2-ethoxy-1-(4-methylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one
CID 91914250
N-(1-benzylpiperidin-4-yl)-2-(cyclopropylmethoxy)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91904567
9-(cyclopropylmethoxy)-7-oxo-N-(pyridin-3-ylmethyl)-1,2,4,5-tetrahydropyrido[1,2-d][1,4]oxazepine-10-carboxamide
CID 91912843
[2-[[1-(2-chlorobenzoyl)piperidin-4-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 50846409
2-ethoxy-4-oxo-N-(3-piperidin-1-ylpropyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
CID 91914328
1-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methoxy-6,7,8,9-tetrahydroquinolizin-4-one
CID 175667141
(4-methoxyphenyl)methyl 2-ethoxy-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxylate
CID 53338063
(4-methylphenyl)methyl 2-ethoxy-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate
CID 53338058
9,10-dimethoxy-1-methyl-2-(oxan-4-ylmethoxy)-6,7-dihydrobenzo[a]quinolizin-4-one
CID 118609947
1-[4-[[2-(morpholine-4-carbonyl)phenoxy]methyl]piperidin-1-yl]prop-2-en-1-one
CID 50846376
methyl 3-(2,3-difluorobenzoyl)-9-[[(2R)-oxan-2-yl]methoxy]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42500977

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The IUPAC name of 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one (CID 91904578) is 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is O=C(c1c(OCC2CC2)cc(=O)n2c1CCCCC2)N1CCOCC1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
The InChIKey is BJAVQOORITVRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c22-17-12-16(25-13-14-5-6-14)18(15-4-2-1-3-7-21(15)17)19(23)20-8-10-24-11-9-20/h12,14H,1-11,13H2.
What are the key properties of 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one?
2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one has a molecular weight of 346.43 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-(morpholine-4-carbonyl)-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepin-4-one is sourced from PubChem (CID 91904578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).