2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol

C17H16F2N4O — CID 135898981

IUPAC2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol
SMILESC[C@@H](N)CNc1nc(-c2c(O)ccc(F)c2F)nc2ccccc12
InChIInChI=1S/C17H16F2N4O/c1-9(20)8-21-16-10-4-2-3-5-12(10)22-17(23-16)14-13(24)7-6-11(18)15(14)19/h2-7,9,24H,8,20H2,1H3,(H,21,22,23)/t9-/m1/s1
InChIKeyWAABZXPRANIAOK-SECBINFHSA-N
MW330.34 g/mol
LogP3.04
Rot. Bonds4

About 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol

2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol (PubChem CID 135898981) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol.

Molecular Properties

Compound Name2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol
PubChem CID135898981
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol
SMILESC[C@@H](N)CNc1nc(-c2c(O)ccc(F)c2F)nc2ccccc12
InChIInChI=1S/C17H16F2N4O/c1-9(20)8-21-16-10-4-2-3-5-12(10)22-17(23-16)14-13(24)7-6-11(18)15(14)19/h2-7,9,24H,8,20H2,1H3,(H,21,22,23)/t9-/m1/s1
InChIKeyWAABZXPRANIAOK-SECBINFHSA-N
XLogP3.04
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]benzene-1,4-diol
CID 135898999
2-[4-[[(2R)-2-amino-3-methylbutyl]amino]quinazolin-2-yl]-4-(trifluoromethoxy)phenol
CID 135898934
4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770158
(3E,5Z)-3-[4-(2-aminopropylamino)quinazolin-2-yl]-2-fluorohepta-1,3,5-trien-4-ol
CID 143569431
N-(2-methylpropyl)-2-(trifluoromethyl)quinazolin-4-amine
CID 155520248
2-(2-chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine
CID 727473
1-[(2-aminoquinazolin-4-yl)amino]-3-ethylpentan-2-ol
CID 106288982
(2S)-1-[(2-chloroquinazolin-4-yl)amino]propan-2-ol
CID 42149810
4-[(2-hydrazinylquinazolin-4-yl)amino]-3-methylbutan-1-ol
CID 80922127
N-ethyl-2-(4-fluoro-3-methylphenyl)quinazolin-4-amine
CID 63500841
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol?
The IUPAC name of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol (CID 135898981) is 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol.
What is the SMILES notation for 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol?
The canonical SMILES for 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol is C[C@@H](N)CNc1nc(-c2c(O)ccc(F)c2F)nc2ccccc12.
What is the InChIKey of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol?
The InChIKey is WAABZXPRANIAOK-SECBINFHSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-9(20)8-21-16-10-4-2-3-5-12(10)22-17(23-16)14-13(24)7-6-11(18)15(14)19/h2-7,9,24H,8,20H2,1H3,(H,21,22,23)/t9-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol?
2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol has a molecular weight of 330.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-aminopropyl]amino]quinazolin-2-yl]-3,4-difluorophenol is sourced from PubChem (CID 135898981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).