N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine

C22H18N4O — CID 134146186

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC3COc4ccccc4C3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N4O/c1-4-10-20-15(6-1)12-17(14-27-20)24-22-18-8-2-3-9-19(18)25-21(26-22)16-7-5-11-23-13-16/h1-11,13,17H,12,14H2,(H,24,25,26)
InChIKeyNMYSKFXCEWTIDV-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.11
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine

N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 134146186) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID134146186
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine
SMILESc1cncc(-c2nc(NC3COc4ccccc4C3)c3ccccc3n2)c1
InChIInChI=1S/C22H18N4O/c1-4-10-20-15(6-1)12-17(14-27-20)24-22-18-8-2-3-9-19(18)25-21(26-22)16-7-5-11-23-13-16/h1-11,13,17H,12,14H2,(H,24,25,26)
InChIKeyNMYSKFXCEWTIDV-UHFFFAOYSA-N
XLogP4.11
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine (CID 134146186) is N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine is c1cncc(-c2nc(NC3COc4ccccc4C3)c3ccccc3n2)c1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is NMYSKFXCEWTIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-4-10-20-15(6-1)12-17(14-27-20)24-22-18-8-2-3-9-19(18)25-21(26-22)16-7-5-11-23-13-16/h1-11,13,17H,12,14H2,(H,24,25,26).
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine?
N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 134146186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).