7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen

C19H25N5O — CID 166161564

IUPAC7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen
SMILESO=c1nc(NCC2CC2)c2ccc(C3CC3)cc2n1C1=CNCCN1.[H][H]
InChIInChI=1S/C19H23N5O.H2/c25-19-23-18(22-10-12-1-2-12)15-6-5-14(13-3-4-13)9-16(15)24(19)17-11-20-7-8-21-17;/h5-6,9,11-13,20-21H,1-4,7-8,10H2,(H,22,23,25);1H
InChIKeyQXFWEQZUQCJQKY-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.29
Rot. Bonds5

About 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen

7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen (PubChem CID 166161564) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen.

Molecular Properties

Compound Name7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen
PubChem CID166161564
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen
SMILESO=c1nc(NCC2CC2)c2ccc(C3CC3)cc2n1C1=CNCCN1.[H][H]
InChIInChI=1S/C19H23N5O.H2/c25-19-23-18(22-10-12-1-2-12)15-6-5-14(13-3-4-13)9-16(15)24(19)17-11-20-7-8-21-17;/h5-6,9,11-13,20-21H,1-4,7-8,10H2,(H,22,23,25);1H
InChIKeyQXFWEQZUQCJQKY-UHFFFAOYSA-N
XLogP2.29
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen?
The IUPAC name of 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen (CID 166161564) is 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen.
What is the SMILES notation for 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen?
The canonical SMILES for 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen is O=c1nc(NCC2CC2)c2ccc(C3CC3)cc2n1C1=CNCCN1.[H][H].
What is the InChIKey of 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen?
The InChIKey is QXFWEQZUQCJQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O.H2/c25-19-23-18(22-10-12-1-2-12)15-6-5-14(13-3-4-13)9-16(15)24(19)17-11-20-7-8-21-17;/h5-6,9,11-13,20-21H,1-4,7-8,10H2,(H,22,23,25);1H.
What are the key properties of 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen?
7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen has a molecular weight of 339.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-4-(cyclopropylmethylamino)-1-(1,2,3,4-tetrahydropyrazin-5-yl)quinazolin-2-one;molecular hydrogen is sourced from PubChem (CID 166161564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).