4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide

C23H23ClFN5O — CID 174476195

IUPAC4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESNc1c(C2CC2)nc2cc(Cl)ccc2c1N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H23ClFN5O/c24-15-3-8-18-19(13-15)28-21(14-1-2-14)20(26)22(18)29-9-11-30(12-10-29)23(31)27-17-6-4-16(25)5-7-17/h3-8,13-14H,1-2,9-12,26H2,(H,27,31)
InChIKeyLXDMEMGXSDDMJS-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.84
Rot. Bonds3

About 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide

4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 174476195) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID174476195
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC Name4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide
SMILESNc1c(C2CC2)nc2cc(Cl)ccc2c1N1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C23H23ClFN5O/c24-15-3-8-18-19(13-15)28-21(14-1-2-14)20(26)22(18)29-9-11-30(12-10-29)23(31)27-17-6-4-16(25)5-7-17/h3-8,13-14H,1-2,9-12,26H2,(H,27,31)
InChIKeyLXDMEMGXSDDMJS-UHFFFAOYSA-N
XLogP4.84
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-7-chloroquinolin-4-yl)-N-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1-carboxamide
CID 21101669
4-[7-chloro-2-(2-methoxyethylamino)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 21101777
4-(5-chloro-2-methoxyphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 113112777
4-[7-chloro-2-[(4-methylphenyl)carbamoylamino]quinolin-4-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 21101709
(3S)-3-[[4-(2-amino-7-chloroquinolin-4-yl)piperazine-1-carbonyl]amino]-2-oxo-N-phenylazepane-1-carboxamide
CID 10007346
4-amino-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 16773171
4-(7-chloroquinolin-4-yl)-N-pyridin-4-ylpiperazine-1-carboxamide
CID 21101797
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
4-(7-chloroquinolin-4-yl)-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 134142480
N-(7-chloro-3-methoxyquinoxalin-2-yl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 66918089
N-(4-chlorophenyl)-4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]piperidine-1-carboxamide
CID 127040790
N-(4-chlorophenyl)-4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxamide
CID 38274940

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide (CID 174476195) is 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide is Nc1c(C2CC2)nc2cc(Cl)ccc2c1N1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is LXDMEMGXSDDMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c24-15-3-8-18-19(13-15)28-21(14-1-2-14)20(26)22(18)29-9-11-30(12-10-29)23(31)27-17-6-4-16(25)5-7-17/h3-8,13-14H,1-2,9-12,26H2,(H,27,31).
What are the key properties of 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide?
4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-7-chloro-2-cyclopropylquinolin-4-yl)-N-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 174476195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).