4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one

C19H20N4O — CID 133461177

IUPAC4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one
SMILESCc1nc2c(c(NCc3cc(=O)[nH]c4ccccc34)n1)CCCC2
InChIInChI=1S/C19H20N4O/c1-12-21-17-9-5-3-7-15(17)19(22-12)20-11-13-10-18(24)23-16-8-4-2-6-14(13)16/h2,4,6,8,10H,3,5,7,9,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyFYLJVWBAUPHQGJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.12
Rot. Bonds3

About 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one

4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one (PubChem CID 133461177) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one
PubChem CID133461177
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one
SMILESCc1nc2c(c(NCc3cc(=O)[nH]c4ccccc34)n1)CCCC2
InChIInChI=1S/C19H20N4O/c1-12-21-17-9-5-3-7-15(17)19(22-12)20-11-13-10-18(24)23-16-8-4-2-6-14(13)16/h2,4,6,8,10H,3,5,7,9,11H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyFYLJVWBAUPHQGJ-UHFFFAOYSA-N
XLogP3.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one (CID 133461177) is 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one is Cc1nc2c(c(NCc3cc(=O)[nH]c4ccccc34)n1)CCCC2.
What is the InChIKey of 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is FYLJVWBAUPHQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-12-21-17-9-5-3-7-15(17)19(22-12)20-11-13-10-18(24)23-16-8-4-2-6-14(13)16/h2,4,6,8,10H,3,5,7,9,11H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one?
4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 320.40 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 133461177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).