N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine

C30H28N6O2 — CID 71181254

IUPACN-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(OCc4ccnc(N5CCOCC5)c4)cc3)cc12
InChIInChI=1S/C30H28N6O2/c1-31-30-26-18-23(6-9-27(26)34-29(35-30)24-3-2-11-32-19-24)22-4-7-25(8-5-22)38-20-21-10-12-33-28(17-21)36-13-15-37-16-14-36/h2-12,17-19H,13-16,20H2,1H3,(H,31,34,35)
InChIKeyUFSVSPQSZJOLOM-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.21
Rot. Bonds7

About N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine

N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71181254) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71181254
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC NameN-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(OCc4ccnc(N5CCOCC5)c4)cc3)cc12
InChIInChI=1S/C30H28N6O2/c1-31-30-26-18-23(6-9-27(26)34-29(35-30)24-3-2-11-32-19-24)22-4-7-25(8-5-22)38-20-21-10-12-33-28(17-21)36-13-15-37-16-14-36/h2-12,17-19H,13-16,20H2,1H3,(H,31,34,35)
InChIKeyUFSVSPQSZJOLOM-UHFFFAOYSA-N
XLogP5.21
TPSA85.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine (CID 71181254) is N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3ccc(OCc4ccnc(N5CCOCC5)c4)cc3)cc12.
What is the InChIKey of N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is UFSVSPQSZJOLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c1-31-30-26-18-23(6-9-27(26)34-29(35-30)24-3-2-11-32-19-24)22-4-7-25(8-5-22)38-20-21-10-12-33-28(17-21)36-13-15-37-16-14-36/h2-12,17-19H,13-16,20H2,1H3,(H,31,34,35).
What are the key properties of N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 504.59 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[4-[(2-morpholin-4-yl-4-pyridinyl)methoxy]phenyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71181254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).