1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea

C19H25N3O2 — CID 97221600

IUPAC1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
SMILESC[C@H](C1CC1)N(C(=O)NC[C@@H]1CC(=O)Nc2ccccc21)C1CC1
InChIInChI=1S/C19H25N3O2/c1-12(13-6-7-13)22(15-8-9-15)19(24)20-11-14-10-18(23)21-17-5-3-2-4-16(14)17/h2-5,12-15H,6-11H2,1H3,(H,20,24)(H,21,23)/t12-,14+/m1/s1
InChIKeyMGAZMSLGCSMFDI-OCCSQVGLSA-N
MW327.43 g/mol
LogP3.08
Rot. Bonds5

About 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea

1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea (PubChem CID 97221600) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
PubChem CID97221600
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea
SMILESC[C@H](C1CC1)N(C(=O)NC[C@@H]1CC(=O)Nc2ccccc21)C1CC1
InChIInChI=1S/C19H25N3O2/c1-12(13-6-7-13)22(15-8-9-15)19(24)20-11-14-10-18(23)21-17-5-3-2-4-16(14)17/h2-5,12-15H,6-11H2,1H3,(H,20,24)(H,21,23)/t12-,14+/m1/s1
InChIKeyMGAZMSLGCSMFDI-OCCSQVGLSA-N
XLogP3.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea (CID 97221600) is 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea is C[C@H](C1CC1)N(C(=O)NC[C@@H]1CC(=O)Nc2ccccc21)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
The InChIKey is MGAZMSLGCSMFDI-OCCSQVGLSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(13-6-7-13)22(15-8-9-15)19(24)20-11-14-10-18(23)21-17-5-3-2-4-16(14)17/h2-5,12-15H,6-11H2,1H3,(H,20,24)(H,21,23)/t12-,14+/m1/s1.
What are the key properties of 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea?
1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea has a molecular weight of 327.43 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[(1R)-1-cyclopropylethyl]-3-[[(4R)-2-oxo-3,4-dihydro-1H-quinolin-4-yl]methyl]urea is sourced from PubChem (CID 97221600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).