1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol

C19H21N3O — CID 142689562

IUPAC1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol
SMILESCc1cccc(C)c1C(Nc1ncnc2ccccc12)C(C)O
InChIInChI=1S/C19H21N3O/c1-12-7-6-8-13(2)17(12)18(14(3)23)22-19-15-9-4-5-10-16(15)20-11-21-19/h4-11,14,18,23H,1-3H3,(H,20,21,22)
InChIKeyQIPJRFRZLWTIKA-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.78
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol

1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol (PubChem CID 142689562) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol
PubChem CID142689562
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol
SMILESCc1cccc(C)c1C(Nc1ncnc2ccccc12)C(C)O
InChIInChI=1S/C19H21N3O/c1-12-7-6-8-13(2)17(12)18(14(3)23)22-19-15-9-4-5-10-16(15)20-11-21-19/h4-11,14,18,23H,1-3H3,(H,20,21,22)
InChIKeyQIPJRFRZLWTIKA-UHFFFAOYSA-N
XLogP3.78
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
3-methyl-1-(quinazolin-4-ylamino)butan-2-ol
CID 113240545
(2R)-4-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6922206
2-methylsulfanyl-3-(quinazolin-4-ylamino)butan-1-ol
CID 103683883
(2R,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoic acid
CID 725448
(2S,3S)-3-methyl-2-(quinazolin-4-ylamino)pentanoate
CID 6928136
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
CID 114178266
N-heptan-2-ylquinazolin-4-amine
CID 54950682
N-(1-chloro-4-methylpentan-2-yl)quinazolin-4-amine
CID 65029030
N-ethyl-N-methyl-2-(quinazolin-4-ylamino)propanamide
CID 103111298
N-undecan-2-ylquinazolin-4-amine
CID 86111387
1-piperidin-1-yl-2-(quinazolin-4-ylamino)propan-1-one
CID 110436995

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol (CID 142689562) is 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol is Cc1cccc(C)c1C(Nc1ncnc2ccccc12)C(C)O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol?
The InChIKey is QIPJRFRZLWTIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12-7-6-8-13(2)17(12)18(14(3)23)22-19-15-9-4-5-10-16(15)20-11-21-19/h4-11,14,18,23H,1-3H3,(H,20,21,22).
What are the key properties of 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol?
1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol has a molecular weight of 307.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-1-(quinazolin-4-ylamino)propan-2-ol is sourced from PubChem (CID 142689562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).