N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine

C22H26N4 — CID 166382766

IUPACN,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine
SMILESCc1ccc(C2CC(C)N(c3nc(N(C)C)nc4ccccc34)C2)cc1
InChIInChI=1S/C22H26N4/c1-15-9-11-17(12-10-15)18-13-16(2)26(14-18)21-19-7-5-6-8-20(19)23-22(24-21)25(3)4/h5-12,16,18H,13-14H2,1-4H3
InChIKeyFGPKSDTYMWVDNP-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.39
Rot. Bonds3

About N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine

N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine (PubChem CID 166382766) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine
PubChem CID166382766
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC NameN,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine
SMILESCc1ccc(C2CC(C)N(c3nc(N(C)C)nc4ccccc34)C2)cc1
InChIInChI=1S/C22H26N4/c1-15-9-11-17(12-10-15)18-13-16(2)26(14-18)21-19-7-5-6-8-20(19)23-22(24-21)25(3)4/h5-12,16,18H,13-14H2,1-4H3
InChIKeyFGPKSDTYMWVDNP-UHFFFAOYSA-N
XLogP4.39
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine?
The IUPAC name of N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine (CID 166382766) is N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine is Cc1ccc(C2CC(C)N(c3nc(N(C)C)nc4ccccc34)C2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine?
The InChIKey is FGPKSDTYMWVDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-15-9-11-17(12-10-15)18-13-16(2)26(14-18)21-19-7-5-6-8-20(19)23-22(24-21)25(3)4/h5-12,16,18H,13-14H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine?
N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine has a molecular weight of 346.48 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]quinazolin-2-amine is sourced from PubChem (CID 166382766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).