N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine

C23H24N6 — CID 68621678

IUPACN,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESCN(C)c1nc([C@@H]2CNC[C@H]2c2ccccc2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C23H24N6/c1-29(2)23-18-10-16(17-11-25-26-12-17)8-9-21(18)27-22(28-23)20-14-24-13-19(20)15-6-4-3-5-7-15/h3-12,19-20,24H,13-14H2,1-2H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyQQWMBNHFQAYFPP-VQTJNVASSA-N
MW384.49 g/mol
LogP3.56
Rot. Bonds4

About N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine

N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine (PubChem CID 68621678) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine
PubChem CID68621678
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC NameN,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine
SMILESCN(C)c1nc([C@@H]2CNC[C@H]2c2ccccc2)nc2ccc(-c3cn[nH]c3)cc12
InChIInChI=1S/C23H24N6/c1-29(2)23-18-10-16(17-11-25-26-12-17)8-9-21(18)27-22(28-23)20-14-24-13-19(20)15-6-4-3-5-7-15/h3-12,19-20,24H,13-14H2,1-2H3,(H,25,26)/t19-,20+/m0/s1
InChIKeyQQWMBNHFQAYFPP-VQTJNVASSA-N
XLogP3.56
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine (CID 68621678) is N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine is CN(C)c1nc([C@@H]2CNC[C@H]2c2ccccc2)nc2ccc(-c3cn[nH]c3)cc12.
What is the InChIKey of N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
The InChIKey is QQWMBNHFQAYFPP-VQTJNVASSA-N. The full InChI is InChI=1S/C23H24N6/c1-29(2)23-18-10-16(17-11-25-26-12-17)8-9-21(18)27-22(28-23)20-14-24-13-19(20)15-6-4-3-5-7-15/h3-12,19-20,24H,13-14H2,1-2H3,(H,25,26)/t19-,20+/m0/s1.
What are the key properties of N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine?
N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine has a molecular weight of 384.49 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3S,4R)-4-phenylpyrrolidin-3-yl]-6-(1H-pyrazol-4-yl)quinazolin-4-amine is sourced from PubChem (CID 68621678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).