4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline

C21H27N5 — CID 95630596

IUPAC4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
SMILESCc1nc(CN2CCC[C@@H]2Cn2ccnc2C(C)C)nc2ccccc12
InChIInChI=1S/C21H27N5/c1-15(2)21-22-10-12-26(21)13-17-7-6-11-25(17)14-20-23-16(3)18-8-4-5-9-19(18)24-20/h4-5,8-10,12,15,17H,6-7,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyNBIVRSNACJSAPY-QGZVFWFLSA-N
MW349.48 g/mol
LogP3.92
Rot. Bonds5

About 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline

4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline (PubChem CID 95630596) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline.

Molecular Properties

Compound Name4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
PubChem CID95630596
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline
SMILESCc1nc(CN2CCC[C@@H]2Cn2ccnc2C(C)C)nc2ccccc12
InChIInChI=1S/C21H27N5/c1-15(2)21-22-10-12-26(21)13-17-7-6-11-25(17)14-20-23-16(3)18-8-4-5-9-19(18)24-20/h4-5,8-10,12,15,17H,6-7,11,13-14H2,1-3H3/t17-/m1/s1
InChIKeyNBIVRSNACJSAPY-QGZVFWFLSA-N
XLogP3.92
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline with MolForge

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Related Compounds

1-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]benzimidazole
CID 95630599
2-[[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-methylquinazoline
CID 56780557
2-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 111497187
2-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinazolin-4-amine
CID 100692267
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
4-[(2-propan-2-ylimidazol-1-yl)methyl]quinoline
CID 79240800
2-methyl-3-[(2S)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoxaline
CID 100692414
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117166193
2-[(4-cyclopentylpiperazin-1-yl)methyl]-4-methylquinazoline
CID 86928124
1-[1-[(4-methylquinazolin-2-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110019975
1-[2-ethyl-4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 71932952
4-[(2R)-2-[(2-methylimidazol-1-yl)methyl]pyrrolidin-1-yl]quinoline
CID 99837183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline?
The IUPAC name of 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline (CID 95630596) is 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline.
What is the SMILES notation for 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline?
The canonical SMILES for 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline is Cc1nc(CN2CCC[C@@H]2Cn2ccnc2C(C)C)nc2ccccc12.
What is the InChIKey of 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline?
The InChIKey is NBIVRSNACJSAPY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N5/c1-15(2)21-22-10-12-26(21)13-17-7-6-11-25(17)14-20-23-16(3)18-8-4-5-9-19(18)24-20/h4-5,8-10,12,15,17H,6-7,11,13-14H2,1-3H3/t17-/m1/s1.
What are the key properties of 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline?
4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline has a molecular weight of 349.48 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(2R)-2-[(2-propan-2-ylimidazol-1-yl)methyl]pyrrolidin-1-yl]methyl]quinazoline is sourced from PubChem (CID 95630596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).