2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol

C19H21N3O2 — CID 661767

IUPAC2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol
SMILESCCC(C)Nc1nc(-c2cccc(OC)c2O)nc2ccccc12
InChIInChI=1S/C19H21N3O2/c1-4-12(2)20-18-13-8-5-6-10-15(13)21-19(22-18)14-9-7-11-16(24-3)17(14)23/h5-12,23H,4H2,1-3H3,(H,20,21,22)
InChIKeyNVUNWZYFZHBYIH-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.22
Rot. Bonds5

About 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol

2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol (PubChem CID 661767) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol
PubChem CID661767
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol
SMILESCCC(C)Nc1nc(-c2cccc(OC)c2O)nc2ccccc12
InChIInChI=1S/C19H21N3O2/c1-4-12(2)20-18-13-8-5-6-10-15(13)21-19(22-18)14-9-7-11-16(24-3)17(14)23/h5-12,23H,4H2,1-3H3,(H,20,21,22)
InChIKeyNVUNWZYFZHBYIH-UHFFFAOYSA-N
XLogP4.22
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-N-phenylquinazolin-4-amine
CID 3798
N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-amine
CID 25150857
Cct-241533
CID 135564841
Whi-p131
CID 3794
6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
4-(3-Hydroxyanilino)-6,7-Dimethoxyquinazoline
CID 5687
N-benzyl-6,7-dimethoxyquinazolin-4-amine
CID 1474877
6,7-dimethoxy-N-(3-methylphenyl)quinazolin-4-amine
CID 2808977
6,7-dimethoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 2808988
CP-31398
CID 9950868
N2-hexyl-6,7-dimethoxy-N4-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
CID 137348638
5-[(6,7-Dimethoxyquinazolin-4-yl)amino]-4-fluoro-2-methylphenol
CID 5329010

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol?
The IUPAC name of 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol (CID 661767) is 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol.
What is the SMILES notation for 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol?
The canonical SMILES for 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol is CCC(C)Nc1nc(-c2cccc(OC)c2O)nc2ccccc12.
What is the InChIKey of 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol?
The InChIKey is NVUNWZYFZHBYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-4-12(2)20-18-13-8-5-6-10-15(13)21-19(22-18)14-9-7-11-16(24-3)17(14)23/h5-12,23H,4H2,1-3H3,(H,20,21,22).
What are the key properties of 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol?
2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol has a molecular weight of 323.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylamino)quinazolin-2-yl]-6-methoxyphenol is sourced from PubChem (CID 661767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).