N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine

C43H50N8 — CID 68726180

IUPACN-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCc1ccc(C(C)(C)Nc2nc(N3CCCC3)nc3ccccc23)cc1.Cc1ccccc1CNc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C22H26N4.C21H24N4/c1-16-10-12-17(13-11-16)22(2,3)25-20-18-8-4-5-9-19(18)23-21(24-20)26-14-6-7-15-26;1-16-9-3-4-10-17(16)15-22-20-18-11-5-6-12-19(18)23-21(24-20)25-13-7-2-8-14-25/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,23,24,25);3-6,9-12H,2,7-8,13-15H2,1H3,(H,22,23,24)
InChIKeyGIIDUQXZXWEMPV-UHFFFAOYSA-N
MW678.93 g/mol
LogP9.43
Rot. Bonds8

About N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine

N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine (PubChem CID 68726180) has the molecular formula C43H50N8 and a molecular weight of 678.93 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine
PubChem CID68726180
Molecular FormulaC43H50N8
Molecular Weight678.93 g/mol
Exact Mass678.42
IUPAC NameN-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine
SMILESCc1ccc(C(C)(C)Nc2nc(N3CCCC3)nc3ccccc23)cc1.Cc1ccccc1CNc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C22H26N4.C21H24N4/c1-16-10-12-17(13-11-16)22(2,3)25-20-18-8-4-5-9-19(18)23-21(24-20)26-14-6-7-15-26;1-16-9-3-4-10-17(16)15-22-20-18-11-5-6-12-19(18)23-21(24-20)25-13-7-2-8-14-25/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,23,24,25);3-6,9-12H,2,7-8,13-15H2,1H3,(H,22,23,24)
InChIKeyGIIDUQXZXWEMPV-UHFFFAOYSA-N
XLogP9.43
TPSA82.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.93
LogP ≤ 59.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-4-amine
CID 68722967
N-(2-methylphenyl)-2-pyrrolidin-1-ylquinazolin-4-amine
CID 10063638
N-[(2-chlorophenyl)methyl]-2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-amine
CID 71690751
N-[(4-methylphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-amine
CID 71690843
N-(1-iodo-1-naphthalen-2-ylethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 68725304
2-piperidin-1-yl-N-[[5-(trifluoromethyl)furan-2-yl]methyl]quinazolin-4-amine
CID 68723523
N-[[4-(dimethylamino)phenyl]methyl]-2-piperidin-1-ylquinazolin-4-amine
CID 68721936
N-[(2-chlorophenyl)methyl]-2-(3-methylpiperidin-1-yl)quinazolin-4-amine
CID 71690736
1-methyl-N-[(2-methylphenyl)methyl]-6-(4-piperidin-1-ylpiperidin-1-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 50795453
ethane;1-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]ethanone
CID 164569939
2-pyrrolidin-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 142682247
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylquinazolin-4-amine
CID 3156007

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine (CID 68726180) is N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine is Cc1ccc(C(C)(C)Nc2nc(N3CCCC3)nc3ccccc23)cc1.Cc1ccccc1CNc1nc(N2CCCCC2)nc2ccccc12.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine?
The InChIKey is GIIDUQXZXWEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4.C21H24N4/c1-16-10-12-17(13-11-16)22(2,3)25-20-18-8-4-5-9-19(18)23-21(24-20)26-14-6-7-15-26;1-16-9-3-4-10-17(16)15-22-20-18-11-5-6-12-19(18)23-21(24-20)25-13-7-2-8-14-25/h4-5,8-13H,6-7,14-15H2,1-3H3,(H,23,24,25);3-6,9-12H,2,7-8,13-15H2,1H3,(H,22,23,24).
What are the key properties of N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine?
N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine has a molecular weight of 678.93 g/mol, XLogP of 9.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-pyrrolidin-1-ylquinazolin-4-amine is sourced from PubChem (CID 68726180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).