methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate

C19H19N3O2 — CID 90908057

IUPACmethyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate
SMILESCCC(Nc1ncnc2c(C(=O)OC)cccc12)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-16(13-8-5-4-6-9-13)22-18-14-10-7-11-15(19(23)24-2)17(14)20-12-21-18/h4-12,16H,3H2,1-2H3,(H,20,21,22)
InChIKeyGPNGMEIPJDENLC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.98
Rot. Bonds5

About methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate

methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate (PubChem CID 90908057) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate
PubChem CID90908057
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namemethyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate
SMILESCCC(Nc1ncnc2c(C(=O)OC)cccc12)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-3-16(13-8-5-4-6-9-13)22-18-14-10-7-11-15(19(23)24-2)17(14)20-12-21-18/h4-12,16H,3H2,1-2H3,(H,20,21,22)
InChIKeyGPNGMEIPJDENLC-UHFFFAOYSA-N
XLogP3.98
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-methoxy-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 77228144
4-[[(1R)-2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140638523
4-[[(1S)-2-(ethylamino)-1-phenylethyl]amino]quinazoline-8-carboxylic acid
CID 140576306
4-[[2-amino-1-(3,4-dimethoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 46869252
4-[[(1S)-2-(ethylamino)-1-(3-fluorophenyl)ethyl]amino]quinazoline-8-carboxylic acid
CID 140576302
4-[[1-(3-aminophenyl)-3-methoxypropyl]amino]quinazoline-8-carboxamide
CID 66763260
4-[(2-imidazol-1-yl-1-phenylethyl)amino]quinazoline-8-carboxamide
CID 66763023
4-[(3-amino-1-phenylpropyl)amino]quinazoline-8-carboxamide;benzyl N-[(3R)-3-[(8-carbamoylquinazolin-4-yl)amino]-3-phenylpropyl]carbamate
CID 160501806
methyl 4-[1-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]propan-2-ylamino]quinazoline-8-carboxylate
CID 170352873
4-[[(1S)-2-(azetidin-1-yl)-1-(4-fluoro-3-methoxyphenyl)ethyl]amino]quinazoline-8-carboxamide
CID 67607088
4-(methylamino)quinazoline-8-carboxylic acid
CID 71208033
6-chloro-4-N-(1-phenylpropyl)pyrimidine-4,5-diamine
CID 63021888

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate?
The IUPAC name of methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate (CID 90908057) is methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate.
What is the SMILES notation for methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate?
The canonical SMILES for methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate is CCC(Nc1ncnc2c(C(=O)OC)cccc12)c1ccccc1.
What is the InChIKey of methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate?
The InChIKey is GPNGMEIPJDENLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-16(13-8-5-4-6-9-13)22-18-14-10-7-11-15(19(23)24-2)17(14)20-12-21-18/h4-12,16H,3H2,1-2H3,(H,20,21,22).
What are the key properties of methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate?
methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-phenylpropylamino)quinazoline-8-carboxylate is sourced from PubChem (CID 90908057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).