6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride

C14H19Cl2N5 — CID 25178753

IUPAC6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride
SMILESCNc1nc(N2CCC(NC)C2)nc2ccc(Cl)cc12.Cl
InChIInChI=1S/C14H18ClN5.ClH/c1-16-10-5-6-20(8-10)14-18-12-4-3-9(15)7-11(12)13(17-2)19-14;/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,17,18,19);1H
InChIKeyANLUIQDIZQLMFT-UHFFFAOYSA-N
MW328.25 g/mol
LogP2.54
Rot. Bonds3

About 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride

6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride (PubChem CID 25178753) has the molecular formula C14H19Cl2N5 and a molecular weight of 328.25 g/mol. Its IUPAC name is 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride
PubChem CID25178753
Molecular FormulaC14H19Cl2N5
Molecular Weight328.25 g/mol
Exact Mass327.10
IUPAC Name6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride
SMILESCNc1nc(N2CCC(NC)C2)nc2ccc(Cl)cc12.Cl
InChIInChI=1S/C14H18ClN5.ClH/c1-16-10-5-6-20(8-10)14-18-12-4-3-9(15)7-11(12)13(17-2)19-14;/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,17,18,19);1H
InChIKeyANLUIQDIZQLMFT-UHFFFAOYSA-N
XLogP2.54
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride?
The IUPAC name of 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride (CID 25178753) is 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride.
What is the SMILES notation for 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride?
The canonical SMILES for 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride is CNc1nc(N2CCC(NC)C2)nc2ccc(Cl)cc12.Cl.
What is the InChIKey of 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride?
The InChIKey is ANLUIQDIZQLMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5.ClH/c1-16-10-5-6-20(8-10)14-18-12-4-3-9(15)7-11(12)13(17-2)19-14;/h3-4,7,10,16H,5-6,8H2,1-2H3,(H,17,18,19);1H.
What are the key properties of 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride?
6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride has a molecular weight of 328.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-2-[3-(methylamino)pyrrolidin-1-yl]quinazolin-4-amine;hydrochloride is sourced from PubChem (CID 25178753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).