6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one

C24H30N4O3 — CID 126935774

IUPAC6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C24H30N4O3/c1-15(16-6-11-22-21(12-16)26-23(29)14-31-22)25-18-7-9-19(10-8-18)28-24(30)13-17-4-2-3-5-20(17)27-28/h6,11-13,15,18-19,25H,2-5,7-10,14H2,1H3,(H,26,29)
InChIKeyMYDPQDCPZUZIGL-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.29
Rot. Bonds4

About 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one

6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one (PubChem CID 126935774) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
PubChem CID126935774
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one
SMILESCC(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C24H30N4O3/c1-15(16-6-11-22-21(12-16)26-23(29)14-31-22)25-18-7-9-19(10-8-18)28-24(30)13-17-4-2-3-5-20(17)27-28/h6,11-13,15,18-19,25H,2-5,7-10,14H2,1H3,(H,26,29)
InChIKeyMYDPQDCPZUZIGL-UHFFFAOYSA-N
XLogP3.29
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-[1-(cyclopentylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43200721
6-[1-(oxan-4-ylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43609607
6-[1-[(1,1-dioxothiolan-3-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 43098081
6-[1-[(3,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104530994
6-[1-[(2,3-dimethylcyclopentyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 64907786
6-[1-[(3-methoxycyclobutyl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 104871419
6-[1-[(2-methyloxan-4-yl)amino]ethyl]-4H-1,4-benzoxazin-3-one
CID 103910296
6-[1-(2-pyrrolidin-1-ylethylamino)ethyl]-4H-1,4-benzoxazin-3-one
CID 43203429
(4R)-4-methyl-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]azepane-1-carboxamide
CID 95251768
3-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-4H-1,4-benzoxazine-6-carboxamide
CID 17449790
N-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]prop-2-enamide
CID 166407009
(2S)-N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94145915

Frequently Asked Questions

What is the IUPAC name of 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one (CID 126935774) is 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one is CC(NC1CCC(n2nc3c(cc2=O)CCCC3)CC1)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
The InChIKey is MYDPQDCPZUZIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-15(16-6-11-22-21(12-16)26-23(29)14-31-22)25-18-7-9-19(10-8-18)28-24(30)13-17-4-2-3-5-20(17)27-28/h6,11-13,15,18-19,25H,2-5,7-10,14H2,1H3,(H,26,29).
What are the key properties of 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one?
6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one has a molecular weight of 422.53 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[4-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)cyclohexyl]amino]ethyl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 126935774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).