1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea

C19H26N4O3 — CID 133112084

IUPAC1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea
SMILESCOc1cc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2OC)c2ncccc2c1
InChIInChI=1S/C19H26N4O3/c1-12(2)23-10-16(17(11-23)26-4)22-19(24)21-15-9-14(25-3)8-13-6-5-7-20-18(13)15/h5-9,12,16-17H,10-11H2,1-4H3,(H2,21,22,24)/t16-,17-/m1/s1
InChIKeyBTHMVRXHXCGHRW-IAGOWNOFSA-N
MW358.44 g/mol
LogP2.47
Rot. Bonds5

About 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea

1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea (PubChem CID 133112084) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea.

Molecular Properties

Compound Name1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea
PubChem CID133112084
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea
SMILESCOc1cc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2OC)c2ncccc2c1
InChIInChI=1S/C19H26N4O3/c1-12(2)23-10-16(17(11-23)26-4)22-19(24)21-15-9-14(25-3)8-13-6-5-7-20-18(13)15/h5-9,12,16-17H,10-11H2,1-4H3,(H2,21,22,24)/t16-,17-/m1/s1
InChIKeyBTHMVRXHXCGHRW-IAGOWNOFSA-N
XLogP2.47
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea with MolForge

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Related Compounds

N-(6-methoxyquinolin-8-yl)cyclohexanecarboxamide
CID 684971
N-(6-methoxyquinolin-8-yl)benzamide
CID 684962
1-(1,3-benzothiazol-6-yl)-3-(4-methoxy-1-propan-2-ylpyrrolidin-3-yl)urea
CID 156607542
N-(6-methoxyquinolin-8-yl)oxolane-2-carboxamide
CID 110715523
1-[(1S,3R)-3-hydroxycyclopentyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]urea
CID 135122058
2-amino-N-[4-[(6-methoxyquinolin-8-yl)amino]pentyl]propanamide
CID 14370815
methyl 8-(cyclopropylcarbamoylamino)quinoline-6-carboxylate
CID 170992823
(2R)-N-(6-methoxyquinolin-8-yl)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepane-4-carboxamide
CID 97281549
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 118782539
N,N'-bis[4-[(6-methoxyquinolin-8-yl)amino]pentyl]oxamide;dihydrochloride
CID 90664753
1-[(1S,3R)-3-hydroxycyclopentyl]-3-[4-[(6-methoxyquinolin-8-yl)amino]pentylcarbamoylamino]urea
CID 135122120
1-N,1-N-diethyl-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;urea
CID 21115016

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea?
The IUPAC name of 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea (CID 133112084) is 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea.
What is the SMILES notation for 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea?
The canonical SMILES for 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea is COc1cc(NC(=O)N[C@@H]2CN(C(C)C)C[C@H]2OC)c2ncccc2c1.
What is the InChIKey of 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea?
The InChIKey is BTHMVRXHXCGHRW-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)23-10-16(17(11-23)26-4)22-19(24)21-15-9-14(25-3)8-13-6-5-7-20-18(13)15/h5-9,12,16-17H,10-11H2,1-4H3,(H2,21,22,24)/t16-,17-/m1/s1.
What are the key properties of 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea?
1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea has a molecular weight of 358.44 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-3-(6-methoxyquinolin-8-yl)urea is sourced from PubChem (CID 133112084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).