N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine

C20H24N5+ — CID 7999462

IUPACN-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC[NH+]1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H23N5/c1-2-25-12-6-8-16(25)14-22-20-17-9-3-4-10-18(17)23-19(24-20)15-7-5-11-21-13-15/h3-5,7,9-11,13,16H,2,6,8,12,14H2,1H3,(H,22,23,24)/p+1/t16-/m1/s1
InChIKeyQUKJBQZWIOODPK-MRXNPFEDSA-O
MW334.45 g/mol
LogP2.17
Rot. Bonds5

About N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine

N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 7999462) has the molecular formula C20H24N5+ and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID7999462
Molecular FormulaC20H24N5+
Molecular Weight334.45 g/mol
Exact Mass334.20
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCC[NH+]1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2ccccc12
InChIInChI=1S/C20H23N5/c1-2-25-12-6-8-16(25)14-22-20-17-9-3-4-10-18(17)23-19(24-20)15-7-5-11-21-13-15/h3-5,7,9-11,13,16H,2,6,8,12,14H2,1H3,(H,22,23,24)/p+1/t16-/m1/s1
InChIKeyQUKJBQZWIOODPK-MRXNPFEDSA-O
XLogP2.17
TPSA55.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine with MolForge

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2546848
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-(2-cyclopropyl-2-methoxypropyl)-2-pyridin-3-ylquinazolin-4-amine
CID 166215085
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2545874
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
N-propan-2-yl-2-[(2-pyridin-3-ylquinazolin-4-yl)amino]acetamide
CID 8567435
N-[(5-methylpyrazin-2-yl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234103
N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133344251
N-pyridin-4-yl-4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]piperidine-1-carboxamide
CID 155902513
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-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine (CID 7999462) is N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine is CC[NH+]1CCC[C@@H]1CNc1nc(-c2cccnc2)nc2ccccc12.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is QUKJBQZWIOODPK-MRXNPFEDSA-O. The full InChI is InChI=1S/C20H23N5/c1-2-25-12-6-8-16(25)14-22-20-17-9-3-4-10-18(17)23-19(24-20)15-7-5-11-21-13-15/h3-5,7,9-11,13,16H,2,6,8,12,14H2,1H3,(H,22,23,24)/p+1/t16-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 334.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 7999462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).