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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Related Compounds

4-[4-(3-fluoro-5-morpholin-4-ylphenyl)quinazolin-6-yl]pyridin-2-amine
CID 170641216
2-chloro-6-methoxy-4-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]phenol
CID 174683063
4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine
CID 170641489
5-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]-1,3-benzoxazol-2-amine
CID 70798379
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
4-[4-(3-fluoro-4-morpholin-4-ylphenyl)quinolin-6-yl]pyridin-2-amine
CID 170641307
4-(4-methylpiperazin-1-yl)-6-(1H-pyrazol-4-yl)quinoline
CID 22032346
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 62910177
4-[4-(4-methylpiperazin-1-yl)quinazolin-6-yl]benzoic acid
CID 39820555
[4-[6-(3,4-dimethoxyphenyl)quinazolin-4-yl]-2-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 25056466
(5Z)-5-[[4-[3-chloro-4-(4-propylpiperazin-1-yl)phenyl]quinazolin-6-yl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 86279037
5-(2-amino-4-pyridinyl)-2-pyrrolidin-1-ylbenzonitrile
CID 129244481

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).