7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one

C19H24N6O — CID 167878983

IUPAC7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESCN(CC1CCNCC1)c1cncc(-c2ccc3c(c2)NC(=O)NC3)n1
InChIInChI=1S/C19H24N6O/c1-25(12-13-4-6-20-7-5-13)18-11-21-10-17(23-18)14-2-3-15-9-22-19(26)24-16(15)8-14/h2-3,8,10-11,13,20H,4-7,9,12H2,1H3,(H2,22,24,26)
InChIKeyOIAUTQBBVGHQEH-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.21
Rot. Bonds4

About 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one

7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 167878983) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one
PubChem CID167878983
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one
SMILESCN(CC1CCNCC1)c1cncc(-c2ccc3c(c2)NC(=O)NC3)n1
InChIInChI=1S/C19H24N6O/c1-25(12-13-4-6-20-7-5-13)18-11-21-10-17(23-18)14-2-3-15-9-22-19(26)24-16(15)8-14/h2-3,8,10-11,13,20H,4-7,9,12H2,1H3,(H2,22,24,26)
InChIKeyOIAUTQBBVGHQEH-UHFFFAOYSA-N
XLogP2.21
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one with MolForge

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Related Compounds

N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440
6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 71642379
N-methyl-6-(1,3-oxazol-5-yl)-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 22560456
N-(cyclopropylmethyl)-N,6-dimethylpyrazin-2-amine
CID 131114250
7-[4-(pyridine-3-carbonyl)phenyl]-3,4-dihydro-1H-quinazolin-2-one
CID 167764140
6-(7-fluoro-1-benzofuran-6-yl)-N-methyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine
CID 155960304
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719724
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyrazin-2-amine
CID 53410302
6-cyclobutyl-N-methyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116973542
N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643294
N-methyl-5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-N-(piperidin-4-ylmethyl)pyrazine-2-carboxamide
CID 167759112

Frequently Asked Questions

What is the IUPAC name of 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one (CID 167878983) is 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one is CN(CC1CCNCC1)c1cncc(-c2ccc3c(c2)NC(=O)NC3)n1.
What is the InChIKey of 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is OIAUTQBBVGHQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-25(12-13-4-6-20-7-5-13)18-11-21-10-17(23-18)14-2-3-15-9-22-19(26)24-16(15)8-14/h2-3,8,10-11,13,20H,4-7,9,12H2,1H3,(H2,22,24,26).
What are the key properties of 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one?
7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 352.44 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[methyl(piperidin-4-ylmethyl)amino]pyrazin-2-yl]-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 167878983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).