2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine

C24H30N4 — CID 135176599

IUPAC2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3cc(C)c(C4CCNCC4)cc23)c1
InChIInChI=1S/C24H30N4/c1-15-6-5-7-20(12-15)17(3)26-24-22-14-21(19-8-10-25-11-9-19)16(2)13-23(22)27-18(4)28-24/h5-7,12-14,17,19,25H,8-11H2,1-4H3,(H,26,27,28)/t17-/m1/s1
InChIKeyRPRVSEMRMSMXLT-QGZVFWFLSA-N
MW374.53 g/mol
LogP5.20
Rot. Bonds4

About 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine

2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine (PubChem CID 135176599) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine
PubChem CID135176599
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine
SMILESCc1cccc([C@@H](C)Nc2nc(C)nc3cc(C)c(C4CCNCC4)cc23)c1
InChIInChI=1S/C24H30N4/c1-15-6-5-7-20(12-15)17(3)26-24-22-14-21(19-8-10-25-11-9-19)16(2)13-23(22)27-18(4)28-24/h5-7,12-14,17,19,25H,8-11H2,1-4H3,(H,26,27,28)/t17-/m1/s1
InChIKeyRPRVSEMRMSMXLT-QGZVFWFLSA-N
XLogP5.20
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine?
The IUPAC name of 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine (CID 135176599) is 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine?
The canonical SMILES for 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine is Cc1cccc([C@@H](C)Nc2nc(C)nc3cc(C)c(C4CCNCC4)cc23)c1.
What is the InChIKey of 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine?
The InChIKey is RPRVSEMRMSMXLT-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N4/c1-15-6-5-7-20(12-15)17(3)26-24-22-14-21(19-8-10-25-11-9-19)16(2)13-23(22)27-18(4)28-24/h5-7,12-14,17,19,25H,8-11H2,1-4H3,(H,26,27,28)/t17-/m1/s1.
What are the key properties of 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine?
2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine has a molecular weight of 374.53 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-N-[(1R)-1-(3-methylphenyl)ethyl]-6-piperidin-4-ylquinazolin-4-amine is sourced from PubChem (CID 135176599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).