6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one

C24H24ClN5O — CID 10025899

IUPAC6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one
SMILESCn1c(=O)nc(NC2CCN(Cc3ccc4ncccc4c3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31)
InChIKeySSWQTWONAQNZGC-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.21
Rot. Bonds4

About 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one

6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one (PubChem CID 10025899) has the molecular formula C24H24ClN5O and a molecular weight of 433.94 g/mol. Its IUPAC name is 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one
PubChem CID10025899
Molecular FormulaC24H24ClN5O
Molecular Weight433.94 g/mol
Exact Mass433.17
IUPAC Name6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one
SMILESCn1c(=O)nc(NC2CCN(Cc3ccc4ncccc4c3)CC2)c2cc(Cl)ccc21
InChIInChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31)
InChIKeySSWQTWONAQNZGC-UHFFFAOYSA-N
XLogP4.21
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one?
The IUPAC name of 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one (CID 10025899) is 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one.
What is the SMILES notation for 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one?
The canonical SMILES for 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one is Cn1c(=O)nc(NC2CCN(Cc3ccc4ncccc4c3)CC2)c2cc(Cl)ccc21.
What is the InChIKey of 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one?
The InChIKey is SSWQTWONAQNZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O/c1-29-22-7-5-18(25)14-20(22)23(28-24(29)31)27-19-8-11-30(12-9-19)15-16-4-6-21-17(13-16)3-2-10-26-21/h2-7,10,13-14,19H,8-9,11-12,15H2,1H3,(H,27,28,31).
What are the key properties of 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one?
6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one has a molecular weight of 433.94 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-4-[[1-(quinolin-6-ylmethyl)piperidin-4-yl]amino]quinazolin-2-one is sourced from PubChem (CID 10025899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).