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N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide

C19H20ClN5O3S — CID 145049123

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)n1)C1CC1
InChIInChI=1S/C19H20ClN5O3S/c1-29(27,28)25(16-3-4-16)11-15-6-7-21-19(23-15)22-10-13-8-12-9-14(20)2-5-17(12)24-18(13)26/h2,5-9,16H,3-4,10-11H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyLNTVZIFNHHHMLR-UHFFFAOYSA-N
MW433.92 g/mol
LogP2.51
Rot. Bonds7

About N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide

N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide (PubChem CID 145049123) has the molecular formula C19H20ClN5O3S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide
PubChem CID145049123
Molecular FormulaC19H20ClN5O3S
Molecular Weight433.92 g/mol
Exact Mass433.10
IUPAC NameN-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)n1)C1CC1
InChIInChI=1S/C19H20ClN5O3S/c1-29(27,28)25(16-3-4-16)11-15-6-7-21-19(23-15)22-10-13-8-12-9-14(20)2-5-17(12)24-18(13)26/h2,5-9,16H,3-4,10-11H2,1H3,(H,24,26)(H,21,22,23)
InChIKeyLNTVZIFNHHHMLR-UHFFFAOYSA-N
XLogP2.51
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide?
The IUPAC name of N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide (CID 145049123) is N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide is CS(=O)(=O)N(Cc1ccnc(NCc2cc3cc(Cl)ccc3[nH]c2=O)n1)C1CC1.
What is the InChIKey of N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide?
The InChIKey is LNTVZIFNHHHMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O3S/c1-29(27,28)25(16-3-4-16)11-15-6-7-21-19(23-15)22-10-13-8-12-9-14(20)2-5-17(12)24-18(13)26/h2,5-9,16H,3-4,10-11H2,1H3,(H,24,26)(H,21,22,23).
What are the key properties of N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide?
N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide has a molecular weight of 433.92 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(6-chloro-2-oxo-1H-quinolin-3-yl)methylamino]pyrimidin-4-yl]methyl]-N-cyclopropylmethanesulfonamide is sourced from PubChem (CID 145049123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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