2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

C25H24N4O — CID 135921332

IUPAC2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C25H24N4O/c30-23-13-7-5-11-21(23)25-27-22-12-6-4-10-20(22)24(28-25)26-19-14-15-29(17-19)16-18-8-2-1-3-9-18/h1-13,19,30H,14-17H2,(H,26,27,28)/t19-/m0/s1
InChIKeyZVAZJWUOJHOGHU-IBGZPJMESA-N
MW396.49 g/mol
LogP4.69
Rot. Bonds5

About 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol

2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (PubChem CID 135921332) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
PubChem CID135921332
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
SMILESOc1ccccc1-c1nc(N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2n1
InChIInChI=1S/C25H24N4O/c30-23-13-7-5-11-21(23)25-27-22-12-6-4-10-20(22)24(28-25)26-19-14-15-29(17-19)16-18-8-2-1-3-9-18/h1-13,19,30H,14-17H2,(H,26,27,28)/t19-/m0/s1
InChIKeyZVAZJWUOJHOGHU-IBGZPJMESA-N
XLogP4.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[4-(methylamino)cyclohexyl]amino]quinazolin-2-yl]phenol
CID 143796174
4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol
CID 137154175
2-[6-[4-(morpholin-4-ylmethyl)phenyl]-4-[[(3S)-pyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 135921378
[4-[4-[(1-benzylpiperidin-4-yl)amino]quinazolin-2-yl]piperazin-1-yl]-phenylmethanone
CID 71571140
(2R)-N-ethyl-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxamide
CID 143796156
methyl (2S,4S)-4-[[2-(2-hydroxyphenyl)quinazolin-4-yl]amino]pyrrolidine-2-carboxylate
CID 135921333
1-benzyl-N-(2,6-dichlorophenyl)pyrrolidin-3-amine
CID 65469717
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
N-[(3S)-1-benzylpyrrolidin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 95719332
N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56884802
2-N-[(3R)-1-benzylpiperidin-3-yl]quinazoline-2,4-diamine
CID 99780455
2-(4-benzylpiperazin-1-yl)-N-cyclohexylquinazolin-4-amine
CID 2972912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The IUPAC name of 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol (CID 135921332) is 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol.
What is the SMILES notation for 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The canonical SMILES for 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is Oc1ccccc1-c1nc(N[C@H]2CCN(Cc3ccccc3)C2)c2ccccc2n1.
What is the InChIKey of 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
The InChIKey is ZVAZJWUOJHOGHU-IBGZPJMESA-N. The full InChI is InChI=1S/C25H24N4O/c30-23-13-7-5-11-21(23)25-27-22-12-6-4-10-20(22)24(28-25)26-19-14-15-29(17-19)16-18-8-2-1-3-9-18/h1-13,19,30H,14-17H2,(H,26,27,28)/t19-/m0/s1.
What are the key properties of 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol?
2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol has a molecular weight of 396.49 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol is sourced from PubChem (CID 135921332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).