3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one

C29H30N4O2 — CID 118125371

IUPAC3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one
SMILESCC1(C)N=C(c2ccc(-c3ccc4cccnc4c3)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O
InChIInChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-15-32(17-19)27(34)23-10-11-23)26(31-29)22-8-5-20(6-9-22)24-12-7-21-4-3-14-30-25(21)16-24/h3-9,12,14,16,19,23H,10-11,13,15,17-18H2,1-2H3/t19-/m1/s1
InChIKeyYIALDVKIZRKENL-LJQANCHMSA-N
MW466.59 g/mol
LogP4.53
Rot. Bonds5

About 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one

3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one (PubChem CID 118125371) has the molecular formula C29H30N4O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one
PubChem CID118125371
Molecular FormulaC29H30N4O2
Molecular Weight466.59 g/mol
Exact Mass466.24
IUPAC Name3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one
SMILESCC1(C)N=C(c2ccc(-c3ccc4cccnc4c3)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O
InChIInChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-15-32(17-19)27(34)23-10-11-23)26(31-29)22-8-5-20(6-9-22)24-12-7-21-4-3-14-30-25(21)16-24/h3-9,12,14,16,19,23H,10-11,13,15,17-18H2,1-2H3/t19-/m1/s1
InChIKeyYIALDVKIZRKENL-LJQANCHMSA-N
XLogP4.53
TPSA65.87 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one?
The IUPAC name of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one (CID 118125371) is 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one.
What is the SMILES notation for 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one?
The canonical SMILES for 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one is CC1(C)N=C(c2ccc(-c3ccc4cccnc4c3)cc2)N(C[C@@H]2CCN(C(=O)C3CC3)C2)C1=O.
What is the InChIKey of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one?
The InChIKey is YIALDVKIZRKENL-LJQANCHMSA-N. The full InChI is InChI=1S/C29H30N4O2/c1-29(2)28(35)33(18-19-13-15-32(17-19)27(34)23-10-11-23)26(31-29)22-8-5-20(6-9-22)24-12-7-21-4-3-14-30-25(21)16-24/h3-9,12,14,16,19,23H,10-11,13,15,17-18H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one?
3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one has a molecular weight of 466.59 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5,5-dimethyl-2-(4-quinolin-7-ylphenyl)imidazol-4-one is sourced from PubChem (CID 118125371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).