1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea

C27H27ClN4O2 — CID 42700838

IUPAC1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)N(CCN1CCOCC1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C27H27ClN4O2/c28-26-22(18-21-7-2-4-10-24(21)29-26)19-32(13-12-31-14-16-34-17-15-31)27(33)30-25-11-5-8-20-6-1-3-9-23(20)25/h1-11,18H,12-17,19H2,(H,30,33)
InChIKeyIZPPRNIEZVZERH-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.41
Rot. Bonds6

About 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea

1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea (PubChem CID 42700838) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
PubChem CID42700838
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
SMILESO=C(Nc1cccc2ccccc12)N(CCN1CCOCC1)Cc1cc2ccccc2nc1Cl
InChIInChI=1S/C27H27ClN4O2/c28-26-22(18-21-7-2-4-10-24(21)29-26)19-32(13-12-31-14-16-34-17-15-31)27(33)30-25-11-5-8-20-6-1-3-9-23(20)25/h1-11,18H,12-17,19H2,(H,30,33)
InChIKeyIZPPRNIEZVZERH-UHFFFAOYSA-N
XLogP5.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloroquinolin-3-yl)methyl]-N-(2-morpholin-4-ylethyl)cyclopentanecarboxamide
CID 42700833
1-[(1-methylpyrrol-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea
CID 42707836
3-(2-chlorophenyl)-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)urea
CID 3194682
1-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42695927
N-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)morpholine-4-carboxamide
CID 3807765
1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(2-morpholin-4-ylethyl)urea
CID 645912
3-(2-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]-1-(2-morpholin-4-ylethyl)urea
CID 42706414
3-(2-chlorophenyl)-1-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 3194571
1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylthiourea
CID 2907680
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
3-(2-methylphenyl)-1-(2-morpholin-4-ylethyl)-1-[(3-phenoxyphenyl)methyl]urea
CID 42697904
1-[[4-(dimethylamino)phenyl]methyl]-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42706419

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea (CID 42700838) is 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea is O=C(Nc1cccc2ccccc12)N(CCN1CCOCC1)Cc1cc2ccccc2nc1Cl.
What is the InChIKey of 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
The InChIKey is IZPPRNIEZVZERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c28-26-22(18-21-7-2-4-10-24(21)29-26)19-32(13-12-31-14-16-34-17-15-31)27(33)30-25-11-5-8-20-6-1-3-9-23(20)25/h1-11,18H,12-17,19H2,(H,30,33).
What are the key properties of 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea?
1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea has a molecular weight of 474.99 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloroquinolin-3-yl)methyl]-1-(2-morpholin-4-ylethyl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 42700838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).