4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide

C18H18N6O3 — CID 59791621

IUPAC4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1
InChIInChI=1S/C18H18N6O3/c1-26-17-12(8-20-18(22-17)27-2)10-4-3-5-11-13(19)15(24-23-14(10)11)16(25)21-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H2,19,23)(H,21,25)
InChIKeyCRNXVCLAFOOUQS-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.58
Rot. Bonds5

About 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide

4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide (PubChem CID 59791621) has the molecular formula C18H18N6O3 and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
PubChem CID59791621
Molecular FormulaC18H18N6O3
Molecular Weight366.38 g/mol
Exact Mass366.14
IUPAC Name4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
SMILESCOc1ncc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1
InChIInChI=1S/C18H18N6O3/c1-26-17-12(8-20-18(22-17)27-2)10-4-3-5-11-13(19)15(24-23-14(10)11)16(25)21-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H2,19,23)(H,21,25)
InChIKeyCRNXVCLAFOOUQS-UHFFFAOYSA-N
XLogP1.58
TPSA125.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-N-cyclobutyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide
CID 59791549
4-amino-8-(2,4-dimethoxypyrimidin-5-yl)-N-ethylcinnoline-3-carboxamide
CID 25133442
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)-7-fluorocinnoline-3-carboxamide
CID 59791555
4-amino-N-cyclopropyl-8-(2,4-dimethoxyphenyl)cinnoline-3-carboxamide
CID 23629695
4-amino-N-cyclobutyl-8-(2,3,4-trimethoxyphenyl)cinnoline-3-carboxamide
CID 25183553
4-amino-8-[4-(1-hydroxyethyl)-2-methoxypyrimidin-5-yl]cinnoline-3-carboxamide
CID 70275502
4-amino-8-[2-(2,4-dimethoxypyrimidin-5-yl)ethyl]cinnoline-3-carboxamide
CID 91227637
4-amino-N-cyclobutyl-8-(2,3-dimethoxyphenyl)-7-fluorocinnoline-3-carboxamide
CID 59791565
9-amino-2-cyclopentyl-5-(2,4-dimethoxypyrimidin-5-yl)pyrrolo[3,4-b]quinolin-1-ol
CID 136648025
8-(2,4-dimethoxypyrimidin-5-yl)quinoline
CID 39749827
4-amino-8-(2-formyl-6-methoxyphenyl)-N-propylcinnoline-3-carboxamide
CID 59791593
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
CID 23630142

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide (CID 59791621) is 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide is COc1ncc(-c2cccc3c(N)c(C(=O)NC4CC4)nnc23)c(OC)n1.
What is the InChIKey of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
The InChIKey is CRNXVCLAFOOUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O3/c1-26-17-12(8-20-18(22-17)27-2)10-4-3-5-11-13(19)15(24-23-14(10)11)16(25)21-9-6-7-9/h3-5,8-9H,6-7H2,1-2H3,(H2,19,23)(H,21,25).
What are the key properties of 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide?
4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide has a molecular weight of 366.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclopropyl-8-(2,4-dimethoxypyrimidin-5-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 59791621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).