4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide

C22H24N4O2 — CID 68602490

IUPAC4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1
InChIInChI=1S/C22H24N4O2/c1-13(2)24-20(27)16-7-5-15(6-8-16)17-9-10-19-18(11-17)21(26-22(23)25-19)28-12-14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyWUXLJOMQTWVTBC-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.81
Rot. Bonds6

About 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide

4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide (PubChem CID 68602490) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
PubChem CID68602490
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1
InChIInChI=1S/C22H24N4O2/c1-13(2)24-20(27)16-7-5-15(6-8-16)17-9-10-19-18(11-17)21(26-22(23)25-19)28-12-14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,27)(H2,23,25,26)
InChIKeyWUXLJOMQTWVTBC-UHFFFAOYSA-N
XLogP3.81
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-(2-(methylamino)quinazolin-6-yl)-N-(4-(1-methylpiperidin-4-yloxy)phenyl)benzamide
CID 16086101
3-(2,4-diamino-6-methylquinazolin-7-yl)-4-ethoxy-N,N-diethylbenzamide
CID 46898100
Fenazaquin metabolite NN1
CID 45691520
2-[(4-methoxy-6-methylquinazolin-2-yl)amino]-1H-quinazolin-4-one
CID 135449223
1-(4-Methylphenyl)-2-(2-methylquinazolin-4-yl)oxyethanone
CID 2447889
6-(furan-3-yl)-N-phenylquinazolin-4-amine
CID 3232653
6-(3-furanyl)-N-[(3-methylphenyl)methyl]-4-quinazolinamine
CID 3234345
6-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 3234739
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]naphthalen-2-yl-methanone
CID 25002415
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-o-tolylmethanone
CID 25002416
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-m-tolylmethanone
CID 25002417
[4-(2,4-Diaminoquinazolin-5-yloxymethyl)piperidin-1-yl]-p-tolylmethanone
CID 25002759

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide (CID 68602490) is 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(-c2ccc3nc(N)nc(OCC4CC4)c3c2)cc1.
What is the InChIKey of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide?
The InChIKey is WUXLJOMQTWVTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13(2)24-20(27)16-7-5-15(6-8-16)17-9-10-19-18(11-17)21(26-22(23)25-19)28-12-14-3-4-14/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,27)(H2,23,25,26).
What are the key properties of 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide?
4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-4-(cyclopropylmethoxy)quinazolin-6-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 68602490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).