N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide

C19H20N4O3 — CID 142877709

IUPACN-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
SMILESCCNc1nc(NC(=O)c2cc(OC)cc(OC)c2)nc2ccccc12
InChIInChI=1S/C19H20N4O3/c1-4-20-17-15-7-5-6-8-16(15)21-19(22-17)23-18(24)12-9-13(25-2)11-14(10-12)26-3/h5-11H,4H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyXOHBIMDWXWYEEM-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.33
Rot. Bonds6

About N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide

N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide (PubChem CID 142877709) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
PubChem CID142877709
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC NameN-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide
SMILESCCNc1nc(NC(=O)c2cc(OC)cc(OC)c2)nc2ccccc12
InChIInChI=1S/C19H20N4O3/c1-4-20-17-15-7-5-6-8-16(15)21-19(22-17)23-18(24)12-9-13(25-2)11-14(10-12)26-3/h5-11H,4H2,1-3H3,(H2,20,21,22,23,24)
InChIKeyXOHBIMDWXWYEEM-UHFFFAOYSA-N
XLogP3.33
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

acetic acid;4-chloro-N-[4-(ethylamino)quinazolin-2-yl]benzamide
CID 142877600
methyl 2-[[2-(ethylamino)quinazolin-4-yl]amino]acetate
CID 80777540
2-[(Z)-2-aminoethenyl]-N-[4-(ethylamino)quinazolin-2-yl]benzamide
CID 142877583
methyl 3-[[2-(ethylamino)quinazolin-4-yl]amino]propanoate
CID 80798366
N-(2-hydroxynaphthalen-1-yl)-3,5-dimethoxybenzamide
CID 8797393
2-N-ethyl-4-N-(3-methoxypropyl)quinazoline-2,4-diamine
CID 80771309
N-[4-(ethylamino)-7-nitrosoquinazolin-2-yl]pyridine-3-carboxamide
CID 142877734
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
N-ethyl-6-methoxy-2-phenylquinazolin-4-amine
CID 64981044
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
4-N-[(2-chlorophenyl)methyl]-2-N-(3,5-dimethoxyphenyl)quinazoline-2,4-diamine
CID 71690729
5-[[2-(ethylamino)quinazolin-4-yl]amino]pentanamide
CID 106241710

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide (CID 142877709) is N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide is CCNc1nc(NC(=O)c2cc(OC)cc(OC)c2)nc2ccccc12.
What is the InChIKey of N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is XOHBIMDWXWYEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-20-17-15-7-5-6-8-16(15)21-19(22-17)23-18(24)12-9-13(25-2)11-14(10-12)26-3/h5-11H,4H2,1-3H3,(H2,20,21,22,23,24).
What are the key properties of N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide?
N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 352.39 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)quinazolin-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 142877709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).