5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide

C19H21N5O2 — CID 46869641

IUPAC5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCNCC(Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1
InChIInChI=1S/C19H21N5O2/c1-21-10-14(12-6-4-3-5-7-12)24-19-16-15(26-2)9-8-13(18(20)25)17(16)22-11-23-19/h3-9,11,14,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)
InChIKeyGXYOPEGHNADCQI-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.11
Rot. Bonds7

About 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide

5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide (PubChem CID 46869641) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
PubChem CID46869641
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCNCC(Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1
InChIInChI=1S/C19H21N5O2/c1-21-10-14(12-6-4-3-5-7-12)24-19-16-15(26-2)9-8-13(18(20)25)17(16)22-11-23-19/h3-9,11,14,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24)
InChIKeyGXYOPEGHNADCQI-UHFFFAOYSA-N
XLogP2.11
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide (CID 46869641) is 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide is CNCC(Nc1ncnc2c(C(N)=O)ccc(OC)c12)c1ccccc1.
What is the InChIKey of 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The InChIKey is GXYOPEGHNADCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-21-10-14(12-6-4-3-5-7-12)24-19-16-15(26-2)9-8-13(18(20)25)17(16)22-11-23-19/h3-9,11,14,21H,10H2,1-2H3,(H2,20,25)(H,22,23,24).
What are the key properties of 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46869641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).