N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide

C28H34FN5O2 — CID 126738932

IUPACN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide
SMILESCC1CN(c2cnc3c(C(=O)Nc4cnccc4[C@@H]4C[C@H](C)C[C@H](N)C4)ccc(F)c3c2)CC(C)O1
InChIInChI=1S/C28H34FN5O2/c1-16-8-19(10-20(30)9-16)22-6-7-31-13-26(22)33-28(35)23-4-5-25(29)24-11-21(12-32-27(23)24)34-14-17(2)36-18(3)15-34/h4-7,11-13,16-20H,8-10,14-15,30H2,1-3H3,(H,33,35)/t16-,17?,18?,19+,20-/m0/s1
InChIKeyXFUUHCGJXDKDJH-KUZRIEKOSA-N
MW491.61 g/mol
LogP4.87
Rot. Bonds4

About N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide (PubChem CID 126738932) has the molecular formula C28H34FN5O2 and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide
PubChem CID126738932
Molecular FormulaC28H34FN5O2
Molecular Weight491.61 g/mol
Exact Mass491.27
IUPAC NameN-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide
SMILESCC1CN(c2cnc3c(C(=O)Nc4cnccc4[C@@H]4C[C@H](C)C[C@H](N)C4)ccc(F)c3c2)CC(C)O1
InChIInChI=1S/C28H34FN5O2/c1-16-8-19(10-20(30)9-16)22-6-7-31-13-26(22)33-28(35)23-4-5-25(29)24-11-21(12-32-27(23)24)34-14-17(2)36-18(3)15-34/h4-7,11-13,16-20H,8-10,14-15,30H2,1-3H3,(H,33,35)/t16-,17?,18?,19+,20-/m0/s1
InChIKeyXFUUHCGJXDKDJH-KUZRIEKOSA-N
XLogP4.87
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(3-methylazetidin-1-yl)quinoline-8-carboxamide
CID 126739157
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(3-fluoroazetidin-1-yl)quinoline-8-carboxamide
CID 126739008
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3R)-3-methylpiperidin-1-yl]quinoline-8-carboxamide
CID 126739028
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(3-methoxypyrrolidin-1-yl)quinoline-8-carboxamide
CID 126738943
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-[(3S)-3-methoxypyrrolidin-1-yl]quinoline-8-carboxamide
CID 126739125
3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoroquinoline-8-carboxamide
CID 126757738
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2-azabicyclo[2.2.1]heptan-2-yl)-5-fluoroquinoline-8-carboxamide
CID 126738950
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-5-fluoro-3-(2-methylpyrrolidin-1-yl)quinoline-8-carboxamide
CID 145287552
methyl 4-[8-[[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]carbamoyl]-5-fluoroquinolin-3-yl]-1,4-diazepane-1-carboxylate
CID 126738979
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(2-oxopyrrolidin-1-yl)quinoline-8-carboxamide
CID 126738954
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-3-(2-methoxy-2-methylpyrrolidin-1-yl)quinoline-8-carboxamide
CID 162453710
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-[2-(difluoromethyl)piperidin-1-yl]-5-fluoroquinoline-8-carboxamide
CID 126739081

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide?
The IUPAC name of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide (CID 126738932) is N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide.
What is the SMILES notation for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide?
The canonical SMILES for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide is CC1CN(c2cnc3c(C(=O)Nc4cnccc4[C@@H]4C[C@H](C)C[C@H](N)C4)ccc(F)c3c2)CC(C)O1.
What is the InChIKey of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide?
The InChIKey is XFUUHCGJXDKDJH-KUZRIEKOSA-N. The full InChI is InChI=1S/C28H34FN5O2/c1-16-8-19(10-20(30)9-16)22-6-7-31-13-26(22)33-28(35)23-4-5-25(29)24-11-21(12-32-27(23)24)34-14-17(2)36-18(3)15-34/h4-7,11-13,16-20H,8-10,14-15,30H2,1-3H3,(H,33,35)/t16-,17?,18?,19+,20-/m0/s1.
What are the key properties of N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide?
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-3-(2,6-dimethylmorpholin-4-yl)-5-fluoroquinoline-8-carboxamide is sourced from PubChem (CID 126738932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).