4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine

C24H23ClN6 — CID 170641339

IUPAC4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine
SMILESCN1CCN(c2ccc(-c3ncnc4ccc(-c5ccnc(N)c5)cc34)cc2Cl)CC1
InChIInChI=1S/C24H23ClN6/c1-30-8-10-31(11-9-30)22-5-3-18(13-20(22)25)24-19-12-16(2-4-21(19)28-15-29-24)17-6-7-27-23(26)14-17/h2-7,12-15H,8-11H2,1H3,(H2,26,27)
InChIKeyCGWPQAONVQGEPM-UHFFFAOYSA-N
MW430.94 g/mol
LogP4.35
Rot. Bonds3

About 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine

4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine (PubChem CID 170641339) has the molecular formula C24H23ClN6 and a molecular weight of 430.94 g/mol. Its IUPAC name is 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine
PubChem CID170641339
Molecular FormulaC24H23ClN6
Molecular Weight430.94 g/mol
Exact Mass430.17
IUPAC Name4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine
SMILESCN1CCN(c2ccc(-c3ncnc4ccc(-c5ccnc(N)c5)cc34)cc2Cl)CC1
InChIInChI=1S/C24H23ClN6/c1-30-8-10-31(11-9-30)22-5-3-18(13-20(22)25)24-19-12-16(2-4-21(19)28-15-29-24)17-6-7-27-23(26)14-17/h2-7,12-15H,8-11H2,1H3,(H2,26,27)
InChIKeyCGWPQAONVQGEPM-UHFFFAOYSA-N
XLogP4.35
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.94
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine?
The IUPAC name of 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine (CID 170641339) is 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine is CN1CCN(c2ccc(-c3ncnc4ccc(-c5ccnc(N)c5)cc34)cc2Cl)CC1.
What is the InChIKey of 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine?
The InChIKey is CGWPQAONVQGEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6/c1-30-8-10-31(11-9-30)22-5-3-18(13-20(22)25)24-19-12-16(2-4-21(19)28-15-29-24)17-6-7-27-23(26)14-17/h2-7,12-15H,8-11H2,1H3,(H2,26,27).
What are the key properties of 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine?
4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine has a molecular weight of 430.94 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-yl]pyridin-2-amine is sourced from PubChem (CID 170641339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).