2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide

C26H31ClN6O — CID 59682658

IUPAC2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1)c1ccccc1Cl
InChIInChI=1S/C26H31ClN6O/c27-22-11-5-3-9-20(22)25(34)28-13-14-32-15-17-33(18-16-32)26-30-23-12-6-4-10-21(23)24(31-26)29-19-7-1-2-8-19/h3-6,9-12,19H,1-2,7-8,13-18H2,(H,28,34)(H,29,30,31)
InChIKeyPSTFGNNSNDKEMG-UHFFFAOYSA-N
MW479.03 g/mol
LogP4.19
Rot. Bonds7

About 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide

2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide (PubChem CID 59682658) has the molecular formula C26H31ClN6O and a molecular weight of 479.03 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
PubChem CID59682658
Molecular FormulaC26H31ClN6O
Molecular Weight479.03 g/mol
Exact Mass478.22
IUPAC Name2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide
SMILESO=C(NCCN1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1)c1ccccc1Cl
InChIInChI=1S/C26H31ClN6O/c27-22-11-5-3-9-20(22)25(34)28-13-14-32-15-17-33(18-16-32)26-30-23-12-6-4-10-21(23)24(31-26)29-19-7-1-2-8-19/h3-6,9-12,19H,1-2,7-8,13-18H2,(H,28,34)(H,29,30,31)
InChIKeyPSTFGNNSNDKEMG-UHFFFAOYSA-N
XLogP4.19
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.03
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide with MolForge

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Related Compounds

2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912
2-(2-chlorophenoxy)-1-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethanone
CID 59682659
N-cyclopentyl-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinazolin-4-amine
CID 59682699
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
CID 71571140
N-(1-benzylpiperidin-4-yl)-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 71570992
N-cyclopentyl-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)quinazolin-4-amine
CID 4997573
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-propan-2-ylquinoline-4-carboxamide
CID 86944885
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide (CID 59682658) is 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide is O=C(NCCN1CCN(c2nc(NC3CCCC3)c3ccccc3n2)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is PSTFGNNSNDKEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN6O/c27-22-11-5-3-9-20(22)25(34)28-13-14-32-15-17-33(18-16-32)26-30-23-12-6-4-10-21(23)24(31-26)29-19-7-1-2-8-19/h3-6,9-12,19H,1-2,7-8,13-18H2,(H,28,34)(H,29,30,31).
What are the key properties of 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide?
2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 479.03 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-[4-(cyclopentylamino)quinazolin-2-yl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 59682658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).