1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea

C19H26N4O2 — CID 97444304

IUPAC1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea
SMILESCOCCCN1CC[C@H](CNC(=O)Nc2ccc3cccnc3c2)C1
InChIInChI=1S/C19H26N4O2/c1-25-11-3-9-23-10-7-15(14-23)13-21-19(24)22-17-6-5-16-4-2-8-20-18(16)12-17/h2,4-6,8,12,15H,3,7,9-11,13-14H2,1H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyWUTROTZWXIZCQV-OAHLLOKOSA-N
MW342.44 g/mol
LogP2.71
Rot. Bonds7

About 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea

1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea (PubChem CID 97444304) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea.

Molecular Properties

Compound Name1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea
PubChem CID97444304
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea
SMILESCOCCCN1CC[C@H](CNC(=O)Nc2ccc3cccnc3c2)C1
InChIInChI=1S/C19H26N4O2/c1-25-11-3-9-23-10-7-15(14-23)13-21-19(24)22-17-6-5-16-4-2-8-20-18(16)12-17/h2,4-6,8,12,15H,3,7,9-11,13-14H2,1H3,(H2,21,22,24)/t15-/m1/s1
InChIKeyWUTROTZWXIZCQV-OAHLLOKOSA-N
XLogP2.71
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylquinoxalin-6-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 124750057
1-(1,3-benzothiazol-5-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 97437618
1-[[1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]urea
CID 72885243
1-(2,6-dimethyl-3-pyridinyl)-3-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 97456473
1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 97456895
1-(1-ethyltriazol-4-yl)-3-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]urea
CID 125166052
1-[[(3S)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-(2-methyl-3-pyrrolidin-1-ylphenyl)urea
CID 97437150
6-methoxy-N-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 125169256
4-(4-methoxybutyl)-N-quinolin-6-ylpiperazine-1-carboxamide
CID 72885784
1-(3,4-dimethylphenyl)-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]urea
CID 23607955
1-(3-methyl-2-pyridinyl)-3-[[(3S)-1-(2-morpholin-4-ylethyl)pyrrolidin-3-yl]methyl]urea
CID 97073055
1-[(1-benzylpiperidin-4-yl)methyl]-3-(3-methylbenzimidazol-5-yl)urea
CID 74250997

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea?
The IUPAC name of 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea (CID 97444304) is 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea.
What is the SMILES notation for 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea?
The canonical SMILES for 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea is COCCCN1CC[C@H](CNC(=O)Nc2ccc3cccnc3c2)C1.
What is the InChIKey of 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea?
The InChIKey is WUTROTZWXIZCQV-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-25-11-3-9-23-10-7-15(14-23)13-21-19(24)22-17-6-5-16-4-2-8-20-18(16)12-17/h2,4-6,8,12,15H,3,7,9-11,13-14H2,1H3,(H2,21,22,24)/t15-/m1/s1.
What are the key properties of 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea?
1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea has a molecular weight of 342.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methyl]-3-quinolin-7-ylurea is sourced from PubChem (CID 97444304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).