N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine

C19H19FN4O — CID 78901375

IUPACN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3cccnc3OC3CCCC3)c2c1
InChIInChI=1S/C19H19FN4O/c20-14-7-8-17-16(10-14)18(24-12-23-17)22-11-13-4-3-9-21-19(13)25-15-5-1-2-6-15/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,22,23,24)
InChIKeyMKFRHJPVCKXJAX-UHFFFAOYSA-N
MW338.39 g/mol
LogP4.10
Rot. Bonds5

About N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine

N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine (PubChem CID 78901375) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine
PubChem CID78901375
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC NameN-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine
SMILESFc1ccc2ncnc(NCc3cccnc3OC3CCCC3)c2c1
InChIInChI=1S/C19H19FN4O/c20-14-7-8-17-16(10-14)18(24-12-23-17)22-11-13-4-3-9-21-19(13)25-15-5-1-2-6-15/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,22,23,24)
InChIKeyMKFRHJPVCKXJAX-UHFFFAOYSA-N
XLogP4.10
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine?
The IUPAC name of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine (CID 78901375) is N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine.
What is the SMILES notation for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine?
The canonical SMILES for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine is Fc1ccc2ncnc(NCc3cccnc3OC3CCCC3)c2c1.
What is the InChIKey of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine?
The InChIKey is MKFRHJPVCKXJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-7-8-17-16(10-14)18(24-12-23-17)22-11-13-4-3-9-21-19(13)25-15-5-1-2-6-15/h3-4,7-10,12,15H,1-2,5-6,11H2,(H,22,23,24).
What are the key properties of N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine?
N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine has a molecular weight of 338.39 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-6-fluoroquinazolin-4-amine is sourced from PubChem (CID 78901375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).