5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide

C20H18ClN3O3 — CID 91785775

IUPAC5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1cnc2ccccc2c1)C1CC(O)C1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c21-16-8-14(10-23-20(16)27)19(26)24-18(12-6-15(25)7-12)13-5-11-3-1-2-4-17(11)22-9-13/h1-5,8-10,12,15,18,25H,6-7H2,(H,23,27)(H,24,26)
InChIKeyHCPABLQGSDTVAE-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.82
Rot. Bonds4

About 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91785775) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID91785775
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC Name5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(NC(c1cnc2ccccc2c1)C1CC(O)C1)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C20H18ClN3O3/c21-16-8-14(10-23-20(16)27)19(26)24-18(12-6-15(25)7-12)13-5-11-3-1-2-4-17(11)22-9-13/h1-5,8-10,12,15,18,25H,6-7H2,(H,23,27)(H,24,26)
InChIKeyHCPABLQGSDTVAE-UHFFFAOYSA-N
XLogP2.82
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
4-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylpyrazole-5-carboxamide
CID 91787352
5-chloro-N-[2,3-dihydro-1-benzofuran-5-yl-(3-hydroxycyclobutyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91764049
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91768658
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890
3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91774940
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-5-methylpyrazole-3-carboxamide
CID 91774287
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]acetamide
CID 91768467
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91796101
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide (CID 91785775) is 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide is O=C(NC(c1cnc2ccccc2c1)C1CC(O)C1)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HCPABLQGSDTVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-16-8-14(10-23-20(16)27)19(26)24-18(12-6-15(25)7-12)13-5-11-3-1-2-4-17(11)22-9-13/h1-5,8-10,12,15,18,25H,6-7H2,(H,23,27)(H,24,26).
What are the key properties of 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide?
5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91785775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).