N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide

C37H32N6O2 — CID 162526689

IUPACN-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1.C=CC(=O)Nc1cccc(-c2ccc3cnc(N)nc3c2)c1
InChIInChI=1S/C20H18N2O.C17H14N4O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15;1-2-16(22)20-14-5-3-4-11(8-14)12-6-7-13-10-19-17(18)21-15(13)9-12/h3-13,21H,1H2,2H3,(H,22,23);2-10H,1H2,(H,20,22)(H2,18,19,21)
InChIKeyNMLYFDZEXHRFBK-UHFFFAOYSA-N
MW592.70 g/mol
LogP7.68
Rot. Bonds7

About N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide

N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide (PubChem CID 162526689) has the molecular formula C37H32N6O2 and a molecular weight of 592.70 g/mol. Its IUPAC name is N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
PubChem CID162526689
Molecular FormulaC37H32N6O2
Molecular Weight592.70 g/mol
Exact Mass592.26
IUPAC NameN-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1.C=CC(=O)Nc1cccc(-c2ccc3cnc(N)nc3c2)c1
InChIInChI=1S/C20H18N2O.C17H14N4O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15;1-2-16(22)20-14-5-3-4-11(8-14)12-6-7-13-10-19-17(18)21-15(13)9-12/h3-13,21H,1H2,2H3,(H,22,23);2-10H,1H2,(H,20,22)(H2,18,19,21)
InChIKeyNMLYFDZEXHRFBK-UHFFFAOYSA-N
XLogP7.68
TPSA122.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.70
LogP ≤ 57.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526691
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[3-[6-amino-5-[2-amino-7-[3-(prop-2-enoylamino)phenyl]quinazolin-4-yl]naphthalen-2-yl]phenyl]prop-2-enamide
CID 166915143
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90190210
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-[2-amino-6-(2-isocyanophenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 140850723
N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide
CID 162527688
N-[3-[2-amino-6-(3-fluoro-4-pyridin-2-yloxyphenyl)quinazolin-8-yl]phenyl]prop-2-enamide
CID 134265044
N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 162527524

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide (CID 162526689) is N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc3cc(NC)ccc3c2)c1.C=CC(=O)Nc1cccc(-c2ccc3cnc(N)nc3c2)c1.
What is the InChIKey of N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
The InChIKey is NMLYFDZEXHRFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O.C17H14N4O/c1-3-20(23)22-19-6-4-5-14(13-19)15-7-8-17-12-18(21-2)10-9-16(17)11-15;1-2-16(22)20-14-5-3-4-11(8-14)12-6-7-13-10-19-17(18)21-15(13)9-12/h3-13,21H,1H2,2H3,(H,22,23);2-10H,1H2,(H,20,22)(H2,18,19,21).
What are the key properties of N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide?
N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide has a molecular weight of 592.70 g/mol, XLogP of 7.68, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162526689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).