6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine

C22H24ClN5 — CID 72706739

IUPAC6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine
SMILESCC1CCCN1c1cccc(/C=C/c2nc(N(C)C)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C22H24ClN5/c1-15-6-5-13-28(15)21-8-4-7-17(24-21)10-12-20-25-19-11-9-16(23)14-18(19)22(26-20)27(2)3/h4,7-12,14-15H,5-6,13H2,1-3H3/b12-10+
InChIKeyMKZLAZRFXYXXOI-ZRDIBKRKSA-N
MW393.92 g/mol
LogP4.90
Rot. Bonds4

About 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine

6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine (PubChem CID 72706739) has the molecular formula C22H24ClN5 and a molecular weight of 393.92 g/mol. Its IUPAC name is 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine
PubChem CID72706739
Molecular FormulaC22H24ClN5
Molecular Weight393.92 g/mol
Exact Mass393.17
IUPAC Name6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine
SMILESCC1CCCN1c1cccc(/C=C/c2nc(N(C)C)c3cc(Cl)ccc3n2)n1
InChIInChI=1S/C22H24ClN5/c1-15-6-5-13-28(15)21-8-4-7-17(24-21)10-12-20-25-19-11-9-16(23)14-18(19)22(26-20)27(2)3/h4,7-12,14-15H,5-6,13H2,1-3H3/b12-10+
InChIKeyMKZLAZRFXYXXOI-ZRDIBKRKSA-N
XLogP4.90
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine?
The IUPAC name of 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine (CID 72706739) is 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine.
What is the SMILES notation for 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine?
The canonical SMILES for 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine is CC1CCCN1c1cccc(/C=C/c2nc(N(C)C)c3cc(Cl)ccc3n2)n1.
What is the InChIKey of 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine?
The InChIKey is MKZLAZRFXYXXOI-ZRDIBKRKSA-N. The full InChI is InChI=1S/C22H24ClN5/c1-15-6-5-13-28(15)21-8-4-7-17(24-21)10-12-20-25-19-11-9-16(23)14-18(19)22(26-20)27(2)3/h4,7-12,14-15H,5-6,13H2,1-3H3/b12-10+.
What are the key properties of 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine?
6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine has a molecular weight of 393.92 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N,N-dimethyl-2-[(E)-2-[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]ethenyl]quinazolin-4-amine is sourced from PubChem (CID 72706739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).