N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine

C20H22N4O — CID 166215085

IUPACN-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOC(C)(CNc1nc(-c2cccnc2)nc2ccccc12)C1CC1
InChIInChI=1S/C20H22N4O/c1-20(25-2,15-9-10-15)13-22-19-16-7-3-4-8-17(16)23-18(24-19)14-6-5-11-21-12-14/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,22,23,24)
InChIKeyFESHDDOULFHCJE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.92
Rot. Bonds6

About N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine

N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 166215085) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID166215085
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCOC(C)(CNc1nc(-c2cccnc2)nc2ccccc12)C1CC1
InChIInChI=1S/C20H22N4O/c1-20(25-2,15-9-10-15)13-22-19-16-7-3-4-8-17(16)23-18(24-19)14-6-5-11-21-12-14/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,22,23,24)
InChIKeyFESHDDOULFHCJE-UHFFFAOYSA-N
XLogP3.92
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
2-pyridin-3-yl-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 9024030
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 7999462
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251
N-(3-methoxyoxan-4-yl)-2-pyridin-3-ylquinazolin-4-amine
CID 166210438
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine (CID 166215085) is N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine is COC(C)(CNc1nc(-c2cccnc2)nc2ccccc12)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is FESHDDOULFHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-20(25-2,15-9-10-15)13-22-19-16-7-3-4-8-17(16)23-18(24-19)14-6-5-11-21-12-14/h3-8,11-12,15H,9-10,13H2,1-2H3,(H,22,23,24).
What are the key properties of N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine?
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 166215085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).