4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

C21H19N5O3 — CID 142866311

IUPAC4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESNc1c(-c2nc3c(C(=O)N4CCOCC4)cccc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19N5O3/c22-17-12-4-1-2-6-14(12)24-20(27)16(17)19-23-15-7-3-5-13(18(15)25-19)21(28)26-8-10-29-11-9-26/h1-7H,8-11H2,(H,23,25)(H3,22,24,27)
InChIKeyBAAGSSNUWVRXDN-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.13
Rot. Bonds2

About 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one

4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (PubChem CID 142866311) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
PubChem CID142866311
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one
SMILESNc1c(-c2nc3c(C(=O)N4CCOCC4)cccc3[nH]2)c(=O)[nH]c2ccccc12
InChIInChI=1S/C21H19N5O3/c22-17-12-4-1-2-6-14(12)24-20(27)16(17)19-23-15-7-3-5-13(18(15)25-19)21(28)26-8-10-29-11-9-26/h1-7H,8-11H2,(H,23,25)(H3,22,24,27)
InChIKeyBAAGSSNUWVRXDN-UHFFFAOYSA-N
XLogP2.13
TPSA117.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The IUPAC name of 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one (CID 142866311) is 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is Nc1c(-c2nc3c(C(=O)N4CCOCC4)cccc3[nH]2)c(=O)[nH]c2ccccc12.
What is the InChIKey of 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
The InChIKey is BAAGSSNUWVRXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c22-17-12-4-1-2-6-14(12)24-20(27)16(17)19-23-15-7-3-5-13(18(15)25-19)21(28)26-8-10-29-11-9-26/h1-7H,8-11H2,(H,23,25)(H3,22,24,27).
What are the key properties of 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one?
4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one has a molecular weight of 389.42 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[4-(morpholine-4-carbonyl)-1H-benzimidazol-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 142866311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).