N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

C25H32N4O3 — CID 91921110

IUPACN-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCCNC(=O)N1CCOc2ccc(CCC(=O)Nc3ccc4c(c3)N(C)CCC4)cc2C1
InChIInChI=1S/C25H32N4O3/c1-3-26-25(31)29-13-14-32-23-10-6-18(15-20(23)17-29)7-11-24(30)27-21-9-8-19-5-4-12-28(2)22(19)16-21/h6,8-10,15-16H,3-5,7,11-14,17H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyGDZHVXXKGWOGID-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.56
Rot. Bonds5

About N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide

N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (PubChem CID 91921110) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
PubChem CID91921110
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
SMILESCCNC(=O)N1CCOc2ccc(CCC(=O)Nc3ccc4c(c3)N(C)CCC4)cc2C1
InChIInChI=1S/C25H32N4O3/c1-3-26-25(31)29-13-14-32-23-10-6-18(15-20(23)17-29)7-11-24(30)27-21-9-8-19-5-4-12-28(2)22(19)16-21/h6,8-10,15-16H,3-5,7,11-14,17H2,1-2H3,(H,26,31)(H,27,30)
InChIKeyGDZHVXXKGWOGID-UHFFFAOYSA-N
XLogP3.56
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide with MolForge

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Related Compounds

7-[3-[(1,1-dioxothiolan-3-yl)amino]-3-oxopropyl]-N-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91921113
7-[3-(2,3-dihydro-1H-inden-1-ylamino)-3-oxopropyl]-N-ethyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91921114
methyl 4-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-4-oxobutanoate
CID 110729112
7-[3-(cyclopropylmethylamino)-3-oxopropyl]-N-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91910075
3-(1,3-benzodioxol-5-yl)-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
CID 110623348
7-(3-amino-3-oxopropyl)-N-propan-2-yl-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 91921119
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-acetylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 53352123
3-(4-methoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 27604553
3-(4-methylphenyl)-N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)propanamide
CID 110303450
N-(2,3-dihydro-1-benzofuran-5-yl)-3-naphthalen-2-ylpropanamide
CID 112844361
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-7-yl)-3-(4-ethylphenyl)propanamide
CID 110639944

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The IUPAC name of N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide (CID 91921110) is N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide.
What is the SMILES notation for N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The canonical SMILES for N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is CCNC(=O)N1CCOc2ccc(CCC(=O)Nc3ccc4c(c3)N(C)CCC4)cc2C1.
What is the InChIKey of N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
The InChIKey is GDZHVXXKGWOGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-26-25(31)29-13-14-32-23-10-6-18(15-20(23)17-29)7-11-24(30)27-21-9-8-19-5-4-12-28(2)22(19)16-21/h6,8-10,15-16H,3-5,7,11-14,17H2,1-2H3,(H,26,31)(H,27,30).
What are the key properties of N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide?
N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-[3-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)amino]-3-oxopropyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide is sourced from PubChem (CID 91921110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).