2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol

C23H29N5O2 — CID 91963216

IUPAC2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5O2/c1-3-17(16-29)24-22-20-6-4-5-7-21(20)25-23(26-22)28-14-12-27(13-15-28)18-8-10-19(30-2)11-9-18/h4-11,17,29H,3,12-16H2,1-2H3,(H,24,25,26)
InChIKeyNMLNQOFJYLZOQX-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.15
Rot. Bonds7

About 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol

2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol (PubChem CID 91963216) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
PubChem CID91963216
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
SMILESCCC(CO)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12
InChIInChI=1S/C23H29N5O2/c1-3-17(16-29)24-22-20-6-4-5-7-21(20)25-23(26-22)28-14-12-27(13-15-28)18-8-10-19(30-2)11-9-18/h4-11,17,29H,3,12-16H2,1-2H3,(H,24,25,26)
InChIKeyNMLNQOFJYLZOQX-UHFFFAOYSA-N
XLogP3.15
TPSA73.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964165
2-[[2-(4-benzylpiperazin-1-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964161
2-[[2-[4-(2-chlorophenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol
CID 91964164
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylquinazolin-4-amine;hydrochloride
CID 52995635
2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)quinazolin-4-yl]amino]butan-1-ol
CID 91964156
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 91963614
(2S)-3-phenyl-2-[(2-piperidin-1-ylquinazolin-4-yl)amino]propan-1-ol
CID 68722436
ethyl 4-[4-(4-methoxyanilino)quinazolin-2-yl]piperazine-1-carboxylate
CID 71691224
N-[(4-methoxyphenyl)methyl]-2-morpholin-4-ylquinazolin-4-amine
CID 68516298
3-[[2-(4-phenylpiperazin-1-yl)quinazolin-4-yl]amino]propan-1-ol
CID 50947946
2-[[2-(4-ethylpiperazin-1-yl)quinazolin-4-yl]amino]ethanol
CID 2229253
2-[[2-(2-methoxy-5-methylanilino)quinazolin-4-yl]amino]butan-1-ol
CID 91964124

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The IUPAC name of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol (CID 91963216) is 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol is CCC(CO)Nc1nc(N2CCN(c3ccc(OC)cc3)CC2)nc2ccccc12.
What is the InChIKey of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
The InChIKey is NMLNQOFJYLZOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-3-17(16-29)24-22-20-6-4-5-7-21(20)25-23(26-22)28-14-12-27(13-15-28)18-8-10-19(30-2)11-9-18/h4-11,17,29H,3,12-16H2,1-2H3,(H,24,25,26).
What are the key properties of 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol?
2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol has a molecular weight of 407.52 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]quinazolin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 91963216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).