6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one

C26H29ClN6O2 — CID 142866348

IUPAC6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(NCC2CCCNC2)c1-c1nc2c(N3CCOCC3)cccc2[nH]1
InChIInChI=1S/C26H29ClN6O2/c27-17-6-7-19-18(13-17)23(29-15-16-3-2-8-28-14-16)22(26(34)31-19)25-30-20-4-1-5-21(24(20)32-25)33-9-11-35-12-10-33/h1,4-7,13,16,28H,2-3,8-12,14-15H2,(H,30,32)(H2,29,31,34)
InChIKeyYXFHFOHMTXKZPR-UHFFFAOYSA-N
MW493.01 g/mol
LogP3.97
Rot. Bonds5

About 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one

6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one (PubChem CID 142866348) has the molecular formula C26H29ClN6O2 and a molecular weight of 493.01 g/mol. Its IUPAC name is 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one
PubChem CID142866348
Molecular FormulaC26H29ClN6O2
Molecular Weight493.01 g/mol
Exact Mass492.20
IUPAC Name6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one
SMILESO=c1[nH]c2ccc(Cl)cc2c(NCC2CCCNC2)c1-c1nc2c(N3CCOCC3)cccc2[nH]1
InChIInChI=1S/C26H29ClN6O2/c27-17-6-7-19-18(13-17)23(29-15-16-3-2-8-28-14-16)22(26(34)31-19)25-30-20-4-1-5-21(24(20)32-25)33-9-11-35-12-10-33/h1,4-7,13,16,28H,2-3,8-12,14-15H2,(H,30,32)(H2,29,31,34)
InChIKeyYXFHFOHMTXKZPR-UHFFFAOYSA-N
XLogP3.97
TPSA98.07 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.01
LogP ≤ 53.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one?
The IUPAC name of 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one (CID 142866348) is 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one.
What is the SMILES notation for 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one?
The canonical SMILES for 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one is O=c1[nH]c2ccc(Cl)cc2c(NCC2CCCNC2)c1-c1nc2c(N3CCOCC3)cccc2[nH]1.
What is the InChIKey of 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one?
The InChIKey is YXFHFOHMTXKZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN6O2/c27-17-6-7-19-18(13-17)23(29-15-16-3-2-8-28-14-16)22(26(34)31-19)25-30-20-4-1-5-21(24(20)32-25)33-9-11-35-12-10-33/h1,4-7,13,16,28H,2-3,8-12,14-15H2,(H,30,32)(H2,29,31,34).
What are the key properties of 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one?
6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one has a molecular weight of 493.01 g/mol, XLogP of 3.97, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(4-morpholin-4-yl-1H-benzimidazol-2-yl)-4-(piperidin-3-ylmethylamino)-1H-quinolin-2-one is sourced from PubChem (CID 142866348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).