1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea

C20H28N4O2 — CID 52518973

IUPAC1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea
SMILESCC(C)C[C@H](CNC(=O)Nc1cccc2ncccc12)N1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-15(2)13-16(24-9-11-26-12-10-24)14-22-20(25)23-19-7-3-6-18-17(19)5-4-8-21-18/h3-8,15-16H,9-14H2,1-2H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyFBFNIZIJFHUDDL-MRXNPFEDSA-N
MW356.47 g/mol
LogP3.10
Rot. Bonds6

About 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea

1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea (PubChem CID 52518973) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea.

Molecular Properties

Compound Name1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea
PubChem CID52518973
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea
SMILESCC(C)C[C@H](CNC(=O)Nc1cccc2ncccc12)N1CCOCC1
InChIInChI=1S/C20H28N4O2/c1-15(2)13-16(24-9-11-26-12-10-24)14-22-20(25)23-19-7-3-6-18-17(19)5-4-8-21-18/h3-8,15-16H,9-14H2,1-2H3,(H2,22,23,25)/t16-/m1/s1
InChIKeyFBFNIZIJFHUDDL-MRXNPFEDSA-N
XLogP3.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-2-morpholin-4-ylpentyl)-3-(2-methyl-3-nitrophenyl)urea
CID 55695385
1-[(2R)-butan-2-yl]-3-quinolin-5-ylurea
CID 51928178
1-[4-(1-methylimidazole-2-carbonyl)phenyl]-3-[(2R)-4-methyl-2-morpholin-4-ylpentyl]urea
CID 52516653
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 55520723
6-methyl-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 43050246
N-[2-methoxy-4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]phenyl]acetamide
CID 55744114
1-[(2S)-4-methyl-2-morpholin-4-ylpentyl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 94030429
2-bromo-N-quinolin-5-ylpropanamide
CID 107902854
(2S)-2-amino-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 78968953
4-[(4-methyl-2-morpholin-4-ylpentyl)carbamoylamino]-N-prop-2-enylbenzamide
CID 55834797
6-chloro-N-(4-methyl-2-morpholin-4-ylpentyl)pyridine-3-carboxamide
CID 134027027
N-(4-methyl-2-morpholin-4-ylpentyl)-2-naphthalen-2-ylacetamide
CID 46540850

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea?
The IUPAC name of 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea (CID 52518973) is 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea.
What is the SMILES notation for 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea?
The canonical SMILES for 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea is CC(C)C[C@H](CNC(=O)Nc1cccc2ncccc12)N1CCOCC1.
What is the InChIKey of 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea?
The InChIKey is FBFNIZIJFHUDDL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15(2)13-16(24-9-11-26-12-10-24)14-22-20(25)23-19-7-3-6-18-17(19)5-4-8-21-18/h3-8,15-16H,9-14H2,1-2H3,(H2,22,23,25)/t16-/m1/s1.
What are the key properties of 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea?
1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea has a molecular weight of 356.47 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-methyl-2-morpholin-4-ylpentyl]-3-quinolin-5-ylurea is sourced from PubChem (CID 52518973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).