cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone

C26H31N5O — CID 7335362

IUPACcyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone
SMILESC[C@H](Nc1nc(N2CCN(C(=O)C3CCCC3)CC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H31N5O/c1-19(20-9-3-2-4-10-20)27-24-22-13-7-8-14-23(22)28-26(29-24)31-17-15-30(16-18-31)25(32)21-11-5-6-12-21/h2-4,7-10,13-14,19,21H,5-6,11-12,15-18H2,1H3,(H,27,28,29)/t19-/m0/s1
InChIKeyJYEIISOLXADLNZ-IBGZPJMESA-N
MW429.57 g/mol
LogP4.64
Rot. Bonds5

About cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone

cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone (PubChem CID 7335362) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone
PubChem CID7335362
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC Namecyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone
SMILESC[C@H](Nc1nc(N2CCN(C(=O)C3CCCC3)CC2)nc2ccccc12)c1ccccc1
InChIInChI=1S/C26H31N5O/c1-19(20-9-3-2-4-10-20)27-24-22-13-7-8-14-23(22)28-26(29-24)31-17-15-30(16-18-31)25(32)21-11-5-6-12-21/h2-4,7-10,13-14,19,21H,5-6,11-12,15-18H2,1H3,(H,27,28,29)/t19-/m0/s1
InChIKeyJYEIISOLXADLNZ-IBGZPJMESA-N
XLogP4.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(1-phenylethylamino)quinazolin-2-yl]piperidine-4-carboxamide
CID 56729237
2-(4-methylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 1090838
1-[4-(propan-2-ylamino)quinazolin-2-yl]piperidine-4-carboxamide
CID 91966112
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68723199
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-N-[(1S)-1-phenylethyl]quinazolin-4-amine
CID 41263344
cyclohexyl-[4-(1-phenylethyl)piperazin-1-yl]methanone
CID 113073983
N-(1-naphthalen-1-ylethyl)-2-piperidin-1-ylquinazolin-4-amine;hydrochloride
CID 68781551
N-[1-(4-methylphenyl)ethyl]-2-piperidin-1-ylquinazolin-4-amine;N-[2-(4-methylphenyl)propan-2-yl]-2-piperidin-1-ylquinazolin-4-amine
CID 68722967
[1-(4-phenylquinazolin-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 27816575
1-[4-[4-(benzylamino)quinazolin-2-yl]piperazin-1-yl]-2-methylpropan-1-one
CID 25144877
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
[4-(4-anilino-6-methylpyrimidin-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 27477450

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone (CID 7335362) is cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone is C[C@H](Nc1nc(N2CCN(C(=O)C3CCCC3)CC2)nc2ccccc12)c1ccccc1.
What is the InChIKey of cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone?
The InChIKey is JYEIISOLXADLNZ-IBGZPJMESA-N. The full InChI is InChI=1S/C26H31N5O/c1-19(20-9-3-2-4-10-20)27-24-22-13-7-8-14-23(22)28-26(29-24)31-17-15-30(16-18-31)25(32)21-11-5-6-12-21/h2-4,7-10,13-14,19,21H,5-6,11-12,15-18H2,1H3,(H,27,28,29)/t19-/m0/s1.
What are the key properties of cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone?
cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone has a molecular weight of 429.57 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[4-[[(1S)-1-phenylethyl]amino]quinazolin-2-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 7335362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).