[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone

C20H21N3O3 — CID 72846429

IUPAC[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c2ccc(C)nc12
InChIInChI=1S/C20H21N3O3/c1-13-3-4-16-15(5-6-18(25-2)19(16)22-13)14-11-17(21-12-14)20(24)23-7-9-26-10-8-23/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyCASLKOAMQIZYKP-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.02
Rot. Bonds3

About [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone

[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (PubChem CID 72846429) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
PubChem CID72846429
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
SMILESCOc1ccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c2ccc(C)nc12
InChIInChI=1S/C20H21N3O3/c1-13-3-4-16-15(5-6-18(25-2)19(16)22-13)14-11-17(21-12-14)20(24)23-7-9-26-10-8-23/h3-6,11-12,21H,7-10H2,1-2H3
InChIKeyCASLKOAMQIZYKP-UHFFFAOYSA-N
XLogP3.02
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2,6-dimethoxyphenyl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone
CID 119060897
(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-morpholin-4-ylmethanone
CID 167445658
[3-amino-6-(3,4-dimethoxyphenyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 110171984
(3,4-dimethoxyphenyl)-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)methanone
CID 4600615
(4,7-dimethoxy-1-methylindol-2-yl)-morpholin-4-ylmethanone
CID 86207297
morpholin-4-yl-[6-(1H-pyrazol-4-yl)-1H-indol-2-yl]methanone
CID 178095122
6-(morpholine-4-carbonyl)-4-oxo-1H-pyridine-3-carboxylic acid
CID 13216305
(2-methoxy-6-methylphenyl)-morpholin-4-ylmethanone
CID 131909764
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)morpholine-4-carboxamide
CID 10155956
[4-(2-butoxy-5-methylphenyl)-1H-pyrrol-2-yl]-piperidin-1-ylmethanone
CID 121499766
[3-methoxy-4-[4-(propan-2-ylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 146568076
(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)-(1,4-oxazepan-4-yl)methanone
CID 138689663

Frequently Asked Questions

What is the IUPAC name of [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone (CID 72846429) is [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is COc1ccc(-c2c[nH]c(C(=O)N3CCOCC3)c2)c2ccc(C)nc12.
What is the InChIKey of [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CASLKOAMQIZYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-3-4-16-15(5-6-18(25-2)19(16)22-13)14-11-17(21-12-14)20(24)23-7-9-26-10-8-23/h3-6,11-12,21H,7-10H2,1-2H3.
What are the key properties of [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone?
[4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-methoxy-2-methylquinolin-5-yl)-1H-pyrrol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 72846429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).