1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide

C19H22N4O3S — CID 121398412

IUPAC1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide
SMILESCn1cc(Cc2cc3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)cn1
InChIInChI=1S/C19H22N4O3S/c1-19(6-7-19)21-27(25,26)16-4-5-17-14(10-16)9-15(18(24)23(17)3)8-13-11-20-22(2)12-13/h4-5,9-12,21H,6-8H2,1-3H3
InChIKeyKLTNRAIVFQWKNP-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.69
Rot. Bonds5

About 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide

1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide (PubChem CID 121398412) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide
PubChem CID121398412
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide
SMILESCn1cc(Cc2cc3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)cn1
InChIInChI=1S/C19H22N4O3S/c1-19(6-7-19)21-27(25,26)16-4-5-17-14(10-16)9-15(18(24)23(17)3)8-13-11-20-22(2)12-13/h4-5,9-12,21H,6-8H2,1-3H3
InChIKeyKLTNRAIVFQWKNP-UHFFFAOYSA-N
XLogP1.69
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-({methyl[(1-methyl-1H-pyrazol-4-yl)methyl]amino}sulfonyl)phenyl]acetamide
CID 4318633
1-(cyclopropylmethyl)-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398178
N-[1-(fluoromethyl)cyclopropyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398347
3-[(1-ethylpyrazol-4-yl)methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398427
1-ethyl-N-[1-(fluoromethyl)cyclopropyl]-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398517
1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398540
N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxo-1-prop-2-ynylquinazoline-6-sulfonamide
CID 121398556
6-Quinazolinesulfonamide, 1,2,3,4-tetrahydro-N-(1-methylcyclopropyl)-3-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-(3-oxetanylmethyl)-2,4-dioxo-
CID 121398668
3-[[1-(cyanomethyl)pyrazol-4-yl]methyl]-1-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398676
1-ethyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398732
3-methyl-N-(1-methylcyclopropyl)-1-[(2-methylpyrazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 121398796
1-methyl-N-(1-methylcyclopropyl)-3-[(2-methylpyrazol-3-yl)methyl]-2,4-dioxoquinazoline-6-sulfonamide
CID 134169689

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide?
The IUPAC name of 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide (CID 121398412) is 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide?
The canonical SMILES for 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide is Cn1cc(Cc2cc3cc(S(=O)(=O)NC4(C)CC4)ccc3n(C)c2=O)cn1.
What is the InChIKey of 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide?
The InChIKey is KLTNRAIVFQWKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-19(6-7-19)21-27(25,26)16-4-5-17-14(10-16)9-15(18(24)23(17)3)8-13-11-20-22(2)12-13/h4-5,9-12,21H,6-8H2,1-3H3.
What are the key properties of 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide?
1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide has a molecular weight of 386.48 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylcyclopropyl)-3-[(1-methylpyrazol-4-yl)methyl]-2-oxoquinoline-6-sulfonamide is sourced from PubChem (CID 121398412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).