6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide

C14H17N5O — CID 175736822

IUPAC6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide
SMILESCN1CCN(c2cc(C(N)=O)c3ncncc3c2)CC1
InChIInChI=1S/C14H17N5O/c1-18-2-4-19(5-3-18)11-6-10-8-16-9-17-13(10)12(7-11)14(15)20/h6-9H,2-5H2,1H3,(H2,15,20)
InChIKeyIFXGMUSMRPXFIG-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.48
Rot. Bonds2

About 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide

6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide (PubChem CID 175736822) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide
PubChem CID175736822
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide
SMILESCN1CCN(c2cc(C(N)=O)c3ncncc3c2)CC1
InChIInChI=1S/C14H17N5O/c1-18-2-4-19(5-3-18)11-6-10-8-16-9-17-13(10)12(7-11)14(15)20/h6-9H,2-5H2,1H3,(H2,15,20)
InChIKeyIFXGMUSMRPXFIG-UHFFFAOYSA-N
XLogP0.48
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-methylpiperazin-1-yl)pyrimidin-5-yl]ethanone
CID 83889456
6-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 150957046
6-hydroxyquinazoline-8-carboxylic acid
CID 140638657
6-morpholin-4-yl-1H-benzimidazole-4-carboxamide
CID 123491353
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
7-(4-methylpiperazin-1-yl)-2-(6-methyl-3-pyridinyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605031
N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]thieno[3,2-d]pyrimidine-7-carboxamide
CID 127048451
4-[2-(4-methylpiperazin-1-yl)phenoxy]pyrimidine-5-carboxylic acid
CID 175237939
2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide;2-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]acetic acid
CID 140529582
4-[[3-(dimethylamino)pyrazin-2-yl]amino]-6-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyridine-3-carboxamide
CID 175501424
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]hydroxylamine
CID 142567302

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide?
The IUPAC name of 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide (CID 175736822) is 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide is CN1CCN(c2cc(C(N)=O)c3ncncc3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide?
The InChIKey is IFXGMUSMRPXFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-18-2-4-19(5-3-18)11-6-10-8-16-9-17-13(10)12(7-11)14(15)20/h6-9H,2-5H2,1H3,(H2,15,20).
What are the key properties of 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide?
6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 175736822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).