2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline

C19H23N5O — CID 95202338

IUPAC2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
SMILESCOc1ccc2c(C)nc(N3CC[C@@H](n4nc(C)cc4C)C3)nc2c1
InChIInChI=1S/C19H23N5O/c1-12-9-13(2)24(22-12)15-7-8-23(11-15)19-20-14(3)17-6-5-16(25-4)10-18(17)21-19/h5-6,9-10,15H,7-8,11H2,1-4H3/t15-/m1/s1
InChIKeyZJIZULBZOARROT-OAHLLOKOSA-N
MW337.43 g/mol
LogP3.21
Rot. Bonds3

About 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline

2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline (PubChem CID 95202338) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline.

Molecular Properties

Compound Name2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
PubChem CID95202338
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
SMILESCOc1ccc2c(C)nc(N3CC[C@@H](n4nc(C)cc4C)C3)nc2c1
InChIInChI=1S/C19H23N5O/c1-12-9-13(2)24(22-12)15-7-8-23(11-15)19-20-14(3)17-6-5-16(25-4)10-18(17)21-19/h5-6,9-10,15H,7-8,11H2,1-4H3/t15-/m1/s1
InChIKeyZJIZULBZOARROT-OAHLLOKOSA-N
XLogP3.21
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline with MolForge

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Related Compounds

(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 95200575
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
CID 118759012
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
CID 45185896
[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-(6-methoxy-1-methylindol-2-yl)methanone
CID 95120636
1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
CID 42164315
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 118755161
N-(4,6-dimethylpyrimidin-2-yl)-7-methoxy-4-methylquinazolin-2-amine
CID 658255
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
CID 45192252
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572
N-ethyl-1-(7-methoxy-4-methylquinazolin-2-yl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 45174732
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-thiophen-2-ylethyl)piperidin-4-amine
CID 126464393
(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-[(1R)-1-thiophen-2-ylpropyl]piperidine-3-carboxamide
CID 42190788

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
The IUPAC name of 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline (CID 95202338) is 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline.
What is the SMILES notation for 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
The canonical SMILES for 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline is COc1ccc2c(C)nc(N3CC[C@@H](n4nc(C)cc4C)C3)nc2c1.
What is the InChIKey of 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
The InChIKey is ZJIZULBZOARROT-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-9-13(2)24(22-12)15-7-8-23(11-15)19-20-14(3)17-6-5-16(25-4)10-18(17)21-19/h5-6,9-10,15H,7-8,11H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline?
2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline has a molecular weight of 337.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline is sourced from PubChem (CID 95202338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).