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

C18H19N5O — CID 46868884

IUPAC4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCNCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-20-10-15(12-6-3-2-4-7-12)23-18-14-9-5-8-13(17(19)24)16(14)21-11-22-18/h2-9,11,15,20H,10H2,1H3,(H2,19,24)(H,21,22,23)
InChIKeyKFUGVCOVSKGHMS-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.10
Rot. Bonds6

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

4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide (PubChem CID 46868884) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
PubChem CID46868884
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide
SMILESCNCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1
InChIInChI=1S/C18H19N5O/c1-20-10-15(12-6-3-2-4-7-12)23-18-14-9-5-8-13(17(19)24)16(14)21-11-22-18/h2-9,11,15,20H,10H2,1H3,(H2,19,24)(H,21,22,23)
InChIKeyKFUGVCOVSKGHMS-UHFFFAOYSA-N
XLogP2.10
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide (CID 46868884) is 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide is CNCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccccc1.
What is the InChIKey of 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
The InChIKey is KFUGVCOVSKGHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-20-10-15(12-6-3-2-4-7-12)23-18-14-9-5-8-13(17(19)24)16(14)21-11-22-18/h2-9,11,15,20H,10H2,1H3,(H2,19,24)(H,21,22,23).
What are the key properties of 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide?
4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(methylamino)-1-phenylethyl]amino]quinazoline-8-carboxamide is sourced from PubChem (CID 46868884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).